小分子和化合物库
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盐酸西那卡塞CAS号 : 364782-34-3 Compound CID : 156418分子式: C22H22F3N·HCl 分子量: 393.87IUPAC Name: N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochlorideSMILES: CC(C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)F.ClInChIKey: QANQWUQOEJZMLL-PKLMIRHRSA-NInChI: InChI=1S/C22H22F3N.ClH/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25;/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3;1H/t16-;/m1./s1
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NPS 2143盐酸盐CAS号 : 324523-20-8 Compound CID : 9868131分子式: C24H25ClN2O2.HCl 分子量: 445.39IUPAC Name: 2-chloro-6-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]benzonitrile;hydrochlorideSMILES: CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC3=C(C(=CC=C3)Cl)C#N)O.ClInChIKey: ZEBNDUQLNGYBNL-VEIFNGETSA-NInChI: InChI=1S/C24H25ClN2O2.ClH/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26;/h3-12,20,27-28H,13,15-16H2,1-2H3;1H/t20-;/m1./s1
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R 568 盐酸盐CAS号 : 177172-49-5 Compound CID : 158796分子式: C18H22ClNO•HCl 分子量: 340.29IUPAC Name: 3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-1-amine;hydrochlorideSMILES: CC(C1=CC(=CC=C1)OC)NCCCC2=CC=CC=C2Cl.ClInChIKey: YJXUXANREVNZLH-PFEQFJNWSA-NInChI: InChI=1S/C18H22ClNO.ClH/c1-14(16-8-5-10-17(13-16)21-2)20-12-6-9-15-7-3-4-11-18(15)19;/h3-5,7-8,10-11,13-14,20H,6,9,12H2,1-2H3;1H/t14-;/m1./s1
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Cinacalcet (AMG-073) HClCAS号 : 364782-34-3(DMSO)分子式: C22H22F3N·HCl 分子量: 393.87SMILES: Cl.CC(NCCCC1=CC(=CC=C1)C(F)(F)F)C2=CC=CC3=C2C=CC=C3
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西那卡塞CAS号 : 226256-56-0(DMSO) Compound CID : 156419分子式: C22H22F3N 分子量: 357.41IUPAC Name: N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amineSMILES: CC(C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)FInChIKey: VDHAWDNDOKGFTD-MRXNPFEDSA-NInChI: InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1
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SB-423562CAS号 : 351490-27-2 Compound CID : 9910902分子式: C26H32N2O4 分子量: 436.5IUPAC Name: 3-[4-cyano-3-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]phenyl]propanoic acidSMILES: CC(C)(CC1CC2=CC=CC=C2C1)NCC(COC3=C(C=CC(=C3)CCC(=O)O)C#N)OInChIKey: NJBFJCJKWWIKRD-HSZRJFAPSA-NInChI: InChI=1S/C26H32N2O4/c1-26(2,14-19-11-20-5-3-4-6-21(20)12-19)28-16-23(29)17-32-24-13-18(8-10-25(30)31)7-9-22(24)15-27/h3-7,9,13,19,23,28-29H,8,10-12,14,16-17H2,1-2H3,(H,30,31)/t23-/m1/s1
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SB-423562CAS号 : 351490-27-2(DMSO)分子式: C26H32N2O4 分子量: 436.5SMILES: CC(C)(CC1CC2=CC=CC=C2C1)NCC(COC3=C(C=CC(=C3)CCC(=O)O)C#N)O
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Magnesium ionCAS号 : 22537-22-0 Compound CID : 888分子式: Mg⁺2 分子量: 24.305IUPAC Name: magnesium(2+)SMILES: [Mg+2]InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-NInChI: InChI=1S/Mg/q+2
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NPS-2143,钙敏感受体 (CaSR) 拮抗剂CAS号 : 284035-33-2 Compound CID : 6918446分子式: C24H25ClN2O2 分子量: 408.93IUPAC Name: 2-chloro-6-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]benzonitrileSMILES: CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC3=C(C(=CC=C3)Cl)C#N)OInChIKey: PZUJQWHTIRWCID-HXUWFJFHSA-NInChI: InChI=1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1
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L-色氨酸分子式: C11H12N2O2 分子量: 204.23IUPAC Name: (2S)-2-amino-3-(1H-indol-3-yl)propanoic acidSMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NInChIKey: QIVBCDIJIAJPQS-VIFPVBQESA-NInChI: InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
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