配体家族 - 小分子和化合物库

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(S)-(-)-舒必利
- ≥98%
CAS号: 23672-07-3

分子式: C₁₅H₂₃N₃O₄S 分子量: 341.43

IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoylbenzamide

SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

InChIKey: BGRJTUBHPOOWDU-NSHDSACASA-N

InChI: 1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1
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尼莫地平
- ≥98%
CAS号: 66085-59-4 EC号: 266-127-0

分子式: C₂₁H₂₆N₂O₇ 分子量: 418.44

IUPAC Name: 3-O-(2-methoxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC

InChIKey: UIAGMCDKSXEBJQ-UHFFFAOYSA-N

InChI: 1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3
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奥氮平
- ≥99%
CAS号: 132539-06-1

分子式: C₁₇H₂₀N₄S 分子量: 312.43

IUPAC Name: 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine

SMILES: CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C

InChIKey: KVWDHTXUZHCGIO-UHFFFAOYSA-N

InChI: 1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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罗替戈汀
- ≥98%
CAS号: 99755-59-6 Compound CID : 59227

分子式: C₁₉H₂₅NOS 分子量: 315.47

IUPAC Name: (6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol

SMILES: CCCN(CCC1=CC=CS1)C2CCC3=C(C2)C=CC=C3O

InChIKey: KFQYTPMOWPVWEJ-INIZCTEOSA-N

InChI: 1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1
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利哌酮
- ≥98%
CAS号: 106266-06-2 Compound CID : 5073

分子式: C₂₃H₂₇FN₄O₂ 分子量: 410.48

IUPAC Name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

SMILES: CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

InChIKey: RAPZEAPATHNIPO-UHFFFAOYSA-N

InChI: 1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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舍吲哚
- ≥95%
CAS号: 106516-24-9 Compound CID : 60149

分子式: C₂₄H₂₆ClFN₄O 分子量: 440.9

IUPAC Name: 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one

SMILES: C1CN(CCC1C2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F)CCN5CCNC5=O

InChIKey: GZKLJWGUPQBVJQ-UHFFFAOYSA-N

InChI: 1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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齐拉西酮
- ≥98%
CAS号: 146939-27-7 Compound CID : 60854

分子式: C₂₁H₂₁ClN₄OS 分子量: 412.94

IUPAC Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one

SMILES: C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54

InChIKey: MVWVFYHBGMAFLY-UHFFFAOYSA-N

InChI: 1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
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氯氮平
- ≥98%
CAS号: 5786-21-0

分子式: C₁₈H₁₉ClN₄ 分子量: 326.82

IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine

SMILES: CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42

InChIKey: QZUDBNBUXVUHMW-UHFFFAOYSA-N

InChI: 1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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依普利酮
- ≥98%
CAS号: 107724-20-9

分子式: C₂₄H₃₀O₆ 分子量: 414.49

IUPAC Name: methyl (1R,2S,9R,10R,11S,14R,15S,17R)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate

SMILES: CC12CCC(=O)C=C1CC(C3C24C(O4)CC5(C3CCC56CCC(=O)O6)C)C(=O)OC

InChIKey: JUKPWJGBANNWMW-VWBFHTRKSA-N

InChI: 1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1
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丙酸氟替卡松
- ≥97%
CAS号: 80474-14-2

分子式: C₂₅H₃₁F₃O₅S 分子量: 500.57

IUPAC Name: [(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate

SMILES: CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)SCF

InChIKey: WMWTYOKRWGGJOA-CENSZEJFSA-N

InChI: 1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25See more
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氟哌啶醇
- ≥98%
CAS号: 52-86-8 EC号: 200-155-6

分子式: C₂₁H₂₃ClFNO₂ 分子量: 375.86

IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one

SMILES: C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F

InChIKey: LNEPOXFFQSENCJ-UHFFFAOYSA-N

InChI: 1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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凯他色林
- ≥97%
CAS号: 74050-98-9 EC号: 281-062-8, 277-680-2

分子式: C₂₂H₂₂FN₃O₃ 分子量: 395.43

IUPAC Name: 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione

SMILES: C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=O

InChIKey: FPCCSQOGAWCVBH-UHFFFAOYSA-N

InChI: 1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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