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小豆蔻素CAS号 : 19309-14-9 Compound CID : 641785分子式: C16H14O4 分子量: 270.28IUPAC Name: (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-oneSMILES: COC1=CC(=CC(=C1C(=O)C=CC2=CC=CC=C2)O)OInChIKey: NYSZJNUIVUBQMM-BQYQJAHWSA-NInChI: InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+
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CardamoninCAS号 : 18956-16-6 Compound CID : 641785分子式: C6H5ClN2O4S 分子量: 270.28IUPAC Name: (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-oneSMILES: COC1=CC(=CC(=C1C(=O)C=CC2=CC=CC=C2)O)OInChIKey: NYSZJNUIVUBQMM-BQYQJAHWSA-NInChI: InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+
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WP1066CAS号 : 857064-38-1(DMSO)分子式: C17H14BrN3O 分子量: 356.22SMILES: CC(NC(=O)\C(=C\C1=NC(=CC=C1)Br)C#N)C2=CC=CC=C2
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克霉唑CAS号 : 23593-75-1(DMSO)分子式: C22H17ClN2 分子量: 344.84SMILES: ClC1=C(C=CC=C1)C([N]2C=CN=C2)(C3=CC=CC=C3)C4=CC=CC=C4
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CardamoninCAS号 : 18956-16-6 Compound CID : 641785分子式: C6H5ClN2O4S 分子量: 270.28IUPAC Name: (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-oneSMILES: COC1=CC(=CC(=C1C(=O)C=CC2=CC=CC=C2)O)OInChIKey: NYSZJNUIVUBQMM-BQYQJAHWSA-NInChI: InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+
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小豆蔻素CAS号 : 19309-14-9 Compound CID : 641785分子式: C16H14O4 分子量: 270.28IUPAC Name: (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-oneSMILES: COC1=CC(=CC(=C1C(=O)C=CC2=CC=CC=C2)O)OInChIKey: NYSZJNUIVUBQMM-BQYQJAHWSA-NInChI: InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+
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OroidinCAS号 : 34649-22-4 Compound CID : 6312649分子式: C11H11Br2N5O 分子量: 389.05IUPAC Name: N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamideSMILES: C1=C(NC(=C1Br)Br)C(=O)NCC=CC2=CN=C(N2)NInChIKey: QKJAXHBFQSBDAR-OWOJBTEDSA-NInChI: InChI=1S/C11H11Br2N5O/c12-7-4-8(18-9(7)13)10(19)15-3-1-2-6-5-16-11(14)17-6/h1-2,4-5,18H,3H2,(H,15,19)(H3,14,16,17)/b2-1+
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4-(Benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]piperidineCAS号 : 191217-42-2 Compound CID : 656768分子式: C29H35NO2 分子量: 429.6IUPAC Name: 4-(benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]piperidineSMILES: COC1=CC=C(C=C1)CCCN2CCC(CC2)COC(C3=CC=CC=C3)C4=CC=CC=C4InChIKey: WRTXEGOLODUQIE-UHFFFAOYSA-NInChI: InChI=1S/C29H35NO2/c1-31-28-16-14-24(15-17-28)9-8-20-30-21-18-25(19-22-30)23-32-29(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-7,10-17,25,29H,8-9,18-23H2,1H3
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5-(4-苯氧基丁氧基)补骨脂素（PAP-1）CAS号 : 870653-45-5 Compound CID : 11302540分子式: C21H18O5 分子量: 350.36IUPAC Name: 4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-oneSMILES: C1=CC=C(C=C1)OCCCCOC2=C3C=CC(=O)OC3=CC4=C2C=CO4InChIKey: KINMYBBFQRSVLL-UHFFFAOYSA-NInChI: InChI=1S/C21H18O5/c22-20-9-8-16-19(26-20)14-18-17(10-13-24-18)21(16)25-12-5-4-11-23-15-6-2-1-3-7-15/h1-3,6-10,13-14H,4-5,11-12H2
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TRAM-34,K Ca 3.1通道阻滞剂CAS号 : 289905-88-0 Compound CID : 656734分子式: C22H17ClN2 分子量: 344.84IUPAC Name: 1-[(2-chlorophenyl)-diphenylmethyl]pyrazoleSMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CC=N4InChIKey: KBFUQFVFYYBHBT-UHFFFAOYSA-NInChI: InChI=1S/C22H17ClN2/c23-21-15-8-7-14-20(21)22(25-17-9-16-24-25,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17H
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WP1066,JAK / STAT3抑制剂CAS号 : 857064-38-1 Compound CID : 11210478分子式: C17H14BrN3O 分子量: 356.22IUPAC Name: (E)-3-(6-bromopyridin-2-yl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamideSMILES: CC(C1=CC=CC=C1)NC(=O)C(=CC2=NC(=CC=C2)Br)C#NInChIKey: VFUAJMPDXIRPKO-LQELWAHVSA-NInChI: InChI=1S/C17H14BrN3O/c1-12(13-6-3-2-4-7-13)20-17(22)14(11-19)10-15-8-5-9-16(18)21-15/h2-10,12H,1H3,(H,20,22)/b14-10+/t12-/m0/s1
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克霉唑CAS号 : 23593-75-1 Compound CID : 2812分子式: C22H17ClN2 分子量: 344.84IUPAC Name: 1-[(2-chlorophenyl)-diphenylmethyl]imidazoleSMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4InChIKey: VNFPBHJOKIVQEB-UHFFFAOYSA-NInChI: InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
