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细胞色素P450
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柚皮苷CAS号: 10236-47-2 EC号: 233-566-4分子式: C27H32O14 分子量: 580.53IUPAC Name: (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-oneSMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)OInChIKey: DFPMSGMNTNDNHN-ZPHOTFPESA-NInChI: See more
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普罗地芬 盐酸盐分子式: C23H31NO2 · HCl 分子量: 389.96IUPAC Name: 2-(diethylamino)ethyl 2,2-diphenylpentanoate;hydrochlorideSMILES: CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(CC)CC.ClInChIKey: FHIKZROVIDCMJA-UHFFFAOYSA-NInChI: 1S/C23H31NO2.ClH/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3;/h7-16H,4-6,17-19H2,1-3H3;1H
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莫沙必利CAS号: 112885-41-3 EC号: 601-210-0分子式: C21H25ClFN3O3 分子量: 421.9IUPAC Name: 4-amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamideSMILES: CCOC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=CC=C(C=C3)F)Cl)NInChIKey: YPELFRMCRYSPKZ-UHFFFAOYSA-NInChI: 1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27)
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氯丙嗪CAS号: 50-53-3分子式: C17H19ClN2S 分子量: 318.9IUPAC Name: 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amineSMILES: CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)ClInChIKey: ZPEIMTDSQAKGNT-UHFFFAOYSA-NInChI: 1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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噻氯匹啶CAS号: 55142-85-3 Compound CID : 5472分子式: C14H14ClNS 分子量: 263.78IUPAC Name: 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridineSMILES: C1CN(CC2=C1SC=C2)CC3=CC=CC=C3ClInChIKey: PHWBOXQYWZNQIN-UHFFFAOYSA-NInChI: 1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2
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17-十八炔酸(17-ODYA)CAS号: 34450-18-5分子式: C18H32O2 分子量: 280.45IUPAC Name: octadec-17-ynoic acidSMILES: C#CCCCCCCCCCCCCCCCC(=O)OInChIKey: DZIILFGADWDKMF-UHFFFAOYSA-NInChI: 1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h1H,3-17H2,(H,19,20)
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睾丸内酯分子式: C19H26O3 分子量: 302.41IUPAC Name: (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,9,10,10b,11,12-decahydro-3H-naphtho[2,1-f]chromene-2,8-dioneSMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC(=O)O2InChIKey: CNIXJDVUMXTEKX-DZBHQSCQSA-NInChI: 1S/C19H26O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h11,14-16H,3-10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1
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二氢羊毛甾醇CAS号: 79-62-9分子式: C30H52O 分子量: 428.73IUPAC Name: (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CC(C)CCCC(C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)CInChIKey: MBZYKEVPFYHDOH-BQNIITSRSA-NInChI: 1S/C30H52O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h20-22,25-26,31H,9-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1
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（3S，5S）-阿托伐他汀钠盐CAS号: 501121-34-2 Compound CID : 62976分子式: C₃₃H₃₄FN₂NaO₅ 分子量: 580.62IUPAC Name: (3S,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acidSMILES: CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4InChIKey: XUKUURHRXDUEBC-SVBPBHIXSA-NInChI: See more
