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CXCR
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Plerixafor 8HCl (AMD3100 8HCl)Cas Number: 155148-31-5 Compound CID: 65014Formula: C28H54N8·8HCl Molecular Weight: 794.47IUPAC Name: 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane;octahydrochlorideSMILES: C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3.Cl.Cl.Cl.Cl.Cl.Cl.Cl.ClInChIKey: UEUPDYPUTTUXLJ-UHFFFAOYSA-NInChI: show moreSynonyms: 155148-31-5 (HCl) | Plerixafor hydrochloride | AMD3100 octahydrochloride hydrate | DTXSID20935148 | 1,1'-[1,4-Phenyle...
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Plerixafor, C-X-C chemokine receptor type 4 partial agonistCas Number: 110078-46-1Formula: C28H54N8 Molecular Weight: 502.78IUPAC Name: 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecaneSMILES: C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3InChIKey: YIQPUIGJQJDJOS-UHFFFAOYSA-NInChI: InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2Synonyms: Plerixafor|110078-46-1|Mozobil|AMD3100|1,4-Bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene|Amd 3100|bicycla...
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Reparixin, Interleukin-8 receptor B modulatorCas Number: 266359-83-5 Compound CID: 9838712Formula: C14H21NO3S Molecular Weight: 283.39IUPAC Name: (2R)-2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamideSMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)NS(=O)(=O)CInChIKey: KQDRVXQXKZXMHP-LLVKDONJSA-NInChI: InChI=1S/C14H21NO3S/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15-19(4,17)18/h5-8,10-11H,9H2,1-4H3,(H,15,16)/t11-/m1/s1Synonyms: [D-Pen2,5]Enkephalin | Repertaxin;DF 1681Y | CS-1379 | DTXSID6046509 | L-Arginyl-Glycyl-L-Aspartic acid | Bio1_000853...
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Reparixin L-lysine saltCas Number: 266359-93-7 Compound CID: 9932389Formula: C14H21NO3S.C6H14N2O2 Molecular Weight: 429.58IUPAC Name: (2S)-2,6-diaminohexanoic acid;(2R)-2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamideSMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)NS(=O)(=O)C.C(CCN)CC(C(=O)O)NInChIKey: JEJFWWFZAQBZMJ-GVKMLHTLSA-NInChI: show moreSynonyms: DTXSID80433019 | Reparixin lysine salt | Reparixin L-lysine salt | (2S)-2,6-diaminohexanoic acid;(2R)-2-[4-(2-methylp...
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SRT3109Cas Number: 1204707-71-0 Compound CID: 44602493Formula: C18H23F2N5O4S2 Molecular Weight: 475.53IUPAC Name: N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[[(2R,3R)-3,4-dihydroxybutan-2-yl]amino]pyrimidin-4-yl]azetidine-1-sulfonamideSMILES: CC(C(CO)O)NC1=CC(=NC(=N1)SCC2=C(C(=CC=C2)F)F)NS(=O)(=O)N3CCC3InChIKey: QVKPEMXUBULFBM-RISCZKNCSA-NInChI: show moreSynonyms: N-(2-(((2,3-Difluorophenyl)methyl)thio)-6-(((1R,2R)-2,3-dihydroxy-1-methylpropyl)amino)-4-pyrimidinyl)-1-azetidinesul...
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SX-682, Interleukin-8 receptors, CXCR1/CXCR2 inhibitorCas Number: 1648843-04-2 Compound CID: 90467234Formula: C19H14BF4N3O4S Molecular Weight: 467.2IUPAC Name: [2-[[5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylmethyl]-4-(trifluoromethoxy)phenyl]boronic acidSMILES: B(C1=C(C=C(C=C1)OC(F)(F)F)CSC2=NC=C(C=N2)C(=O)NC3=CC=C(C=C3)F)(O)OInChIKey: SDUDZBCEHIZMFZ-UHFFFAOYSA-NInChI: InChI=1S/C19H14BF4N3O4S/c21-13-1-3-14(4-2-13)27-17(28)12-8-25-18(26-9-12)32-10-11-7-15(31-19(22,23)24)5-6-16(11)20(29)30/h1-9,29-30H,10H2,(H,27,28)Synonyms: SX-682|1648843-04-2|UNII-H5212R2DPM|H5212R2DPM|2-(2-Dihydroxyboryl-5-trifluoromethoxybenzylsulfanyl)pyrimidine-5-carb...
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SX-682, Interleukin-8 receptors, CXCR1/CXCR2 inhibitorCas Number: 1648843-04-2 Compound CID: 90467234Formula: C19H14BF4N3O4S Molecular Weight: 467.2IUPAC Name: [2-[[5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylmethyl]-4-(trifluoromethoxy)phenyl]boronic acidSMILES: B(C1=C(C=C(C=C1)OC(F)(F)F)CSC2=NC=C(C=N2)C(=O)NC3=CC=C(C=C3)F)(O)OInChIKey: SDUDZBCEHIZMFZ-UHFFFAOYSA-NInChI: InChI=1S/C19H14BF4N3O4S/c21-13-1-3-14(4-2-13)27-17(28)12-8-25-18(26-9-12)32-10-11-7-15(31-19(22,23)24)5-6-16(11)20(29)30/h1-9,29-30H,10H2,(H,27,28)Synonyms: (2-(((5-((4-Fluorophenyl)carbamoyl)pyrimidin-2-yl)thio)methyl)-4-(trifluoromethoxy)phenyl)boronicacid | GTPL10165 | A...
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TAK-779Cas Number: 229005-80-5 Compound CID: 183789Formula: C33H39ClN2O2 Molecular Weight: 531.10IUPAC Name: dimethyl-[[4-[[3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbonyl]amino]phenyl]methyl]-(oxan-4-yl)azanium;chlorideSMILES: CC1=CC=C(C=C1)C2=CC3=C(CCCC(=C3)C(=O)NC4=CC=C(C=C4)C[N+](C)(C)C5CCOCC5)C=C2.[Cl-]InChIKey: VDALIBWXVQVFGZ-UHFFFAOYSA-NInChI: show moreSynonyms: dimethyl-[[4-[[3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbonyl]amino]phenyl]methyl]-(oxan-4-yl)azanium;...
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UNBS5162Cas Number: 956590-23-1 Compound CID: 16048966Formula: C17H18N4O3 Molecular Weight: 326.35IUPAC Name: [2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]ureaSMILES: CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)NC(=O)NInChIKey: WCKZRLOUKYFJDY-UHFFFAOYSA-NInChI: InChI=1S/C17H18N4O3/c1-20(2)6-7-21-15(22)12-5-3-4-10-8-11(19-17(18)24)9-13(14(10)12)16(21)23/h3-5,8-9H,6-7H2,1-2H3,(H3,18,19,24)Synonyms: CS-3379 | JY9JF7D78N | n-{2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1h-benzo[de]isoquinolin-5-yl}urea | AC-359...
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USL311Cas Number: 1373268-67-7 Compound CID: 56961879Formula: C24H34N6O Molecular Weight: 422.57IUPAC Name: 6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamideSMILES: CC(C)N1CCC(CC1)N2CCCN(CC2)C3=CC=CC(=N3)C(=O)NC4=CC=NC=C4InChIKey: XNUNVQKARNSSEO-UHFFFAOYSA-NInChI: show moreSynonyms: 6-{4-[1-(propan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl}-N-(pyridin-4-yl)pyridine-2-carboxamide | BCP33234 | 1373268-6...
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WZ811Cas Number: 55778-02-4 Compound CID: 11565518Formula: C18H18N4 Molecular Weight: 290.36IUPAC Name: N-[[4-[(pyridin-2-ylamino)methyl]phenyl]methyl]pyridin-2-amineSMILES: C1=CC=NC(=C1)NCC2=CC=C(C=C2)CNC3=CC=CC=N3InChIKey: KBVFRXIGQQRMEF-UHFFFAOYSA-NInChI: InChI=1S/C18H18N4/c1-3-11-19-17(5-1)21-13-15-7-9-16(10-8-15)14-22-18-6-2-4-12-20-18/h1-12H,13-14H2,(H,19,21)(H,20,22)Synonyms: N,N''-(Benzene-1,4-diyldimethanediyl)dipyridin-2-amine | N,N''-di-2-pyridinyl-1,4-benzenedimethanamine | AS-16967 | N...
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MinecosideCas Number: 51005-44-8 Compound CID: 12002015Formula: C25H30O13 Molecular Weight: 538.5IUPAC Name: show moreSMILES: COC1=C(C=C(C=C1)C=CC(=O)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)OInChIKey: LRHHPZILMPIMIY-GGKKSNITSA-NInChI: show moreSynonyms: FS-9943 | Minecoside | Q27138142 | NCGC00180624-01 | NCGC00180624-03 | [(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-...
