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小分子和化合物库
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双烯雌酚分子式: C18H18O2 分子量: 266.33IUPAC Name: 4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenolSMILES: CC=C(C1=CC=C(C=C1)O)C(=CC)C2=CC=C(C=C2)OInChIKey: NFDFQCUYFHCNBW-SCGPFSFSSA-NInChI: 1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+
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Latrunculin B,肌动蛋白聚合抑制剂CAS号: 76343-94-7分子式: C20H29NO5S 分子量: 395.51IUPAC Name: (4R)-4-[(1R,4Z,8Z,10S,13R,15R)-15-hydroxy-5,10-dimethyl-3-oxo-2,14-dioxabicyclo[11.3.1]heptadeca-4,8-dien-15-yl]-1,3-thiazolidin-2-oneSMILES: CC1CCC2CC(CC(O2)(C3CSC(=O)N3)O)OC(=O)C=C(CCC=C1)CInChIKey: NSHPHXHGRHSMIK-JRIKCGFMSA-NInChI: 1S/C20H29NO5S/c1-13-5-3-4-6-14(2)9-18(22)25-16-10-15(8-7-13)26-20(24,11-16)17-12-27-19(23)21-17/h3,5,9,13,15-17,24H,4,6-8,10-12H2,1-2H3,(H,21,23)/b5-3-,14-9-/t13-,15-,16-,17+,20-/m1/s1
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LP 533401盐酸盐CAS号: 1040526-12-2分子式: C27H22F4N4O3・HCl 分子量: 562.94IUPAC Name: (2S)-2-amino-3-[4-[2-amino-6-[2,2,2-trifluoro-1-[4-(3-fluorophenyl)phenyl]ethoxy]pyrimidin-4-yl]phenyl]propanoic acid;hydrochlorideSMILES: C1=CC(=CC(=C1)F)C2=CC=C(C=C2)C(C(F)(F)F)OC3=NC(=NC(=C3)C4=CC=C(C=C4)CC(C(=O)O)N)N.ClInChIKey: BHBWZCUMIXCDPM-CHXZROHQSA-NInChI: See more
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ARQ 621CAS号: 1095253-39-6分子式: C28H24Cl2FN5O2 分子量: 552.43IUPAC Name: N-(3-aminopropyl)-N-[(1R)-1-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)but-3-ynyl]-3-chloro-2-fluorobenzamideSMILES: C#CCC(C1=NC2=C(C=CC(=C2)Cl)C(=O)N1NC3=CC=CC=C3)N(CCCN)C(=O)C4=C(C(=CC=C4)Cl)FInChIKey: UPJSUQWHUVLLNW-XMMPIXPASA-NInChI: 1S/C28H24Cl2FN5O2/c1-2-8-24(35(16-7-15-32)27(37)21-11-6-12-22(30)25(21)31)26-33-23-17-18(29)13-14-20(23)28(38)36(26)34-19-9-4-3-5-10-19/h1,3-6,9-14,17,24,34H,7-8,15-16,32H2/t24-/m1/s1
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Azido-PEG4-Val-Cit-PAB-OHCAS号: 2055024-64-9 Compound CID : 119058238分子式: C29H48N8O9 分子量: 652.8IUPAC Name: (2S)-2-[[(2S)-2-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]pentanamideSMILES: CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)CCOCCOCCOCCOCCN=[N+]=[N-]InChIKey: AXRCLOURQJMPLC-AHWVRZQESA-NInChI: See more
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NorfenfluramineCAS号: 1886-26-6分子式: C10H12F3N 分子量: 203.21IUPAC Name: 1-[3-(trifluoromethyl)phenyl]propan-2-amineSMILES: CC(Cc1cccc(c1)C(F)(F)F)NInChIKey: MLBHFBKZUPLWBD-UHFFFAOYSA-NInChI: 1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3
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乙酸地塞米松分子式: C24H31FO6 分子量: 434.5IUPAC Name: [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetateSMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C)O)C)O)F)CInChIKey: AKUJBENLRBOFTD-RPRRAYFGSA-NInChI: 1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1
