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LY500307,雌激素受体β激动剂CAS号: 533884-09-2分子式: C18H18O3 分子量: 282.33IUPAC Name: (3aS,4R,9bR)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-olSMILES: C1CC2C(C1)C3=C(C=CC(=C3)O)OC2C4=CC=C(C=C4)OInChIKey: XIESSJVMWNJCGZ-VKJFTORMSA-NInChI: 1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1
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尼氟酸CAS号: 4394-00-7分子式: C13H9F3N2O2 分子量: 282.22IUPAC Name: 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acidSMILES: C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)O)C(F)(F)FInChIKey: JZFPYUNJRRFVQU-UHFFFAOYSA-NInChI: 1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
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托卡朋CAS号: 134308-13-7 Compound CID : 4659569分子式: C14H11NO5 分子量: 273.24IUPAC Name: (3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanoneSMILES: CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]InChIKey: MIQPIUSUKVNLNT-UHFFFAOYSA-NInChI: 1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3
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SMI-4a,ATP竞争性Pim激酶抑制剂CAS号: 438190-29-5 Compound CID : 1361334分子式: C11H6F3NO2S 分子量: 273.23IUPAC Name: (5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dioneSMILES: C1=CC(=CC(=C1)C(F)(F)F)C=C2C(=O)NC(=O)S2InChIKey: NGJLOFCOEOHFKQ-YVMONPNESA-NInChI: 1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(16)15-10(17)18-8/h1-5H,(H,15,16,17)/b8-5-
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托灭酸分子式: C14H12ClNO2 分子量: 261.7IUPAC Name: 2-(3-chloro-2-methylanilino)benzoic acidSMILES: CC1=C(C=CC=C1Cl)NC2=CC=CC=C2C(=O)OInChIKey: YEZNLOUZAIOMLT-UHFFFAOYSA-NInChI: 1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)
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他莫西芬CAS号: 10540-29-1 EC号: 234-118-0分子式: C26H29NO 分子量: 371.51IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamineSMILES: CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3InChIKey: NKANXQFJJICGDU-QPLCGJKRSA-NInChI: 1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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他莫西芬CAS号: 10540-29-1 EC号: 234-118-0分子式: C26H29NO 分子量: 371.51IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamineSMILES: CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3InChIKey: NKANXQFJJICGDU-QPLCGJKRSA-NInChI: 1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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乙腈中α-玉米赤霉醇溶液标准物质分子式: C18H26O5 分子量: 322.4IUPAC Name: (4S,8R)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-oneSMILES: CC1CCCC(CCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1)OInChIKey: DWTTZBARDOXEAM-GXTWGEPZSA-NInChI: 1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14+/m0/s1
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