配体家族 - 小分子和化合物库

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法舒地尔
- ≥98%(HPLC)
CAS号: 103745-39-7

分子式: C₁₄H₁₇N₃O₂S 分子量: 291.37

IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline

SMILES: C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChIKey: NGOGFTYYXHNFQH-UHFFFAOYSA-N

InChI: 1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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GSK 269962,ROCK抑制剂
- ≥98%
CAS号: 850664-21-0

分子式: C₂₉H₃₀N₈O₅ 分子量: 570.6

IUPAC Name: N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-morpholin-4-ylethoxy)benzamide

SMILES: CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6

InChIKey: YOVNFNXUCOWYSG-UHFFFAOYSA-N

InChI: 1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38)
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GSK 269962
- 10mM in DMSO
CAS号: 850664-21-0

分子式: C₂₉H₃₀N₈O₅ 分子量: 570.6

IUPAC Name: N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-morpholin-4-ylethoxy)benzamide

SMILES: CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6

InChIKey: YOVNFNXUCOWYSG-UHFFFAOYSA-N

InChI: 1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38)
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SAR407899
- 10mM in DMSO
CAS号: 923359-38-0 Compound CID : 15604510

分子式: C₁₄H₁₆N₂O₂ 分子量: 244.29
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ROCK inhibitor-2
- 10mM in DMSO
CAS号: 1127308-52-4 Compound CID : 51003130

分子式: C₂₁H₂₀N₂O₂ 分子量: 332.40
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HSD1590
- 10mM in DMSO
CAS号: 2379279-96-4 Compound CID : 139030519

分子式: C₂₀H₁₈BN₃O₃ 分子量: 359.19
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ROCK inhibitor-2
- ≥99%
CAS号: 1127308-52-4 Compound CID : 51003130

分子式: C₂₁H₂₀N₂O₂ 分子量: 332.40

IUPAC Name: N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide

SMILES: CC(C1=CC(=CC=C1)OC)NC(=O)C2=CC=C(C=C2)C3=CC=NC=C3

InChIKey: JRVSFZKYQCETAH-OAHLLOKOSA-N

InChI: 1S/C21H20N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-15H,1-2H3,(H,23,24)/t15-/m1/s1
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RKI-1313
- ≥98%
CAS号: 1342276-76-9 Compound CID : 53492330

分子式: C₁₇H₁₆N₄O₂S 分子量: 340.40

IUPAC Name: 1-[(3-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea

SMILES: COC1=CC=CC(=C1)CNC(=O)NC2=NC(=CS2)C3=CC=NC=C3

InChIKey: BDCUKYUIVYKXCQ-UHFFFAOYSA-N

InChI: 1S/C17H16N4O2S/c1-23-14-4-2-3-12(9-14)10-19-16(22)21-17-20-15(11-24-17)13-5-7-18-8-6-13/h2-9,11H,10H2,1H3,(H2,19,20,21,22)
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HSD1590
- ≥99%
CAS号: 2379279-96-4 Compound CID : 139030519

分子式: C₂₀H₁₈BN₃O₃ 分子量: 359.19

IUPAC Name: [2-methoxy-3-(4,5,10-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),3,7,10,12(16)-hexaen-11-yl)phenyl]boronic acid

SMILES: B(C1=C(C(=CC=C1)C2=NC3=C(C4=C2CCC4)C5=C(C=C3)NN=C5)OC)(O)O

InChIKey: WTZMCUOBQPTERK-UHFFFAOYSA-N

InChI: 1S/C20H18BN3O3/c1-27-20-13(6-3-7-15(20)21(25)26)19-12-5-2-4-11(12)18-14-10-22-24-16(14)8-9-17(18)23-19/h3,6-10,25-26H,2,4-5H2,1H3,(H,22,24)
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LX7101
- ≥99%
CAS号: 1192189-69-7

分子式: C₂₃H₂₉N₇O₃ 分子量: 451.52

IUPAC Name: [3-[[4-(aminomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate

SMILES: CC1=CNC2=C1C(=NC=N2)N3CCC(CC3)(CN)C(=O)NC4=CC(=CC=C4)OC(=O)N(C)C

InChIKey: PWPNYABQEOGNNC-UHFFFAOYSA-N

InChI: 1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27)
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SAR407899
- ≥99%
CAS号: 923359-38-0 Compound CID : 15604510

分子式: C₁₄H₁₆N₂O₂ 分子量: 244.29

IUPAC Name: 6-piperidin-4-yloxy-2H-isoquinolin-1-one

SMILES: C1CNCCC1OC2=CC3=C(C=C2)C(=O)NC=C3

InChIKey: IPEXHQGMTHOKQV-UHFFFAOYSA-N

InChI: 1S/C14H16N2O2/c17-14-13-2-1-12(9-10(13)3-8-16-14)18-11-4-6-15-7-5-11/h1-3,8-9,11,15H,4-7H2,(H,16,17)
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(S)-Ceralasertib
- ≥98%
CAS号: 1352226-87-9

分子式: C₂₀H₂₄N₆O₂S 分子量: 412.51

IUPAC Name: imino-methyl-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]cyclopropyl]-oxo-\u03bb6-sulfane

SMILES: CC1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4

InChIKey: OHUHVTCQTUDPIJ-MUWSIPGASA-N

InChI: 1S/C20H24N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2,21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h3-4,7-8,11,13,21H,5-6,9-10,12H2,1-2H3,(H,22,23)/t13-,29+/m1/s1
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