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小分子和化合物库
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芹菜素分子式: C15H10O5 分子量: 270.24IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneSMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: KZNIFHPLKGYRTM-UHFFFAOYSA-NInChI: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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柚皮素分子式: C15H12O5 分子量: 272.25IUPAC Name: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-oneSMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)OInChIKey: FTVWIRXFELQLPI-ZDUSSCGKSA-NInChI: InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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PKI-402CAS号 : 1173204-81-3 Compound CID : 44187953分子式: C29H34N10O3 分子量: 570.65IUPAC Name: 1-[4-(3-ethyl-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]ureaSMILES: CCN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(=O)N5CCN(CC5)C)N6CCOCC6)N=N1InChIKey: ZAXFYGBKZSQBIV-UHFFFAOYSA-NInChI: InChI=1S/C29H34N10O3/c1-3-39-27-24(34-35-39)26(37-16-18-42-19-17-37)32-25(33-27)20-4-8-22(9-5-20)30-29(41)31-23-10-6-21(7-11-23)28(40)38-14-12-36(2)13-15-38/h4-11H,3,12-19H2,1-2H3,(H2,30,31,41)
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PIK-294CAS号 : 900185-02-6 Compound CID : 24905149分子式: C28H23N7O2 分子量: 489.53IUPAC Name: 2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-oneSMILES: CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C5=NC=NC(=C5C(=N4)C6=CC(=CC=C6)O)NInChIKey: WFSLJOPRIJSOJR-UHFFFAOYSA-NInChI: InChI=1S/C28H23N7O2/c1-16-7-3-4-12-21(16)35-22(32-20-11-5-8-17(2)23(20)28(35)37)14-34-27-24(26(29)30-15-31-27)25(33-34)18-9-6-10-19(36)13-18/h3-13,15,36H,14H2,1-2H3,(H2,29,30,31)
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Pilaralisib (XL147)CAS号 : 934526-89-3 Compound CID : 56599306分子式: C25H25ClN6O4S 分子量: 541.02IUPAC Name: 2-amino-N-[3-[[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-methylpropanamideSMILES: CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)NInChIKey: QINPEPAQOBZPOF-UHFFFAOYSA-NInChI: InChI=1S/C25H25ClN6O4S/c1-25(2,27)24(33)28-15-7-6-8-17(13-15)37(34,35)32-23-22(29-19-9-4-5-10-20(19)30-23)31-21-14-16(36-3)11-12-18(21)26/h4-14H,27H2,1-3H3,(H,28,33)(H,29,31)(H,30,32)
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甘草素分子式: C15H12O4 分子量: 256.25IUPAC Name: (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-oneSMILES: Oc1ccc(cc1)[C@@H]2CC(=O)c3ccc(O)cc3O2InChIKey: FURUXTVZLHCCNA-AWEZNQCLSA-NInChI: InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1
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柚皮素分子式: C15H12O5 分子量: 272.25IUPAC Name: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-oneSMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)OInChIKey: FTVWIRXFELQLPI-ZDUSSCGKSA-NInChI: InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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乔松素CAS号 : 480-39-7分子式: C15H12O4 分子量: 256.25IUPAC Name: (2S)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-oneSMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3InChIKey: URFCJEUYXNAHFI-ZDUSSCGKSA-NInChI: InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1
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STX64CAS号 : 288628-05-7 Compound CID : 5287541分子式: C14H15NO5S 分子量: 309.34IUPAC Name: (6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl) sulfamateSMILES: C1CCC2=C(CC1)C(=O)OC3=C2C=CC(=C3)OS(=O)(=O)NInChIKey: DSLPMJSGSBLWRE-UHFFFAOYSA-NInChI: InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)
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1-[2-(24-二氯苯基)-2-[(24-二氯苯基)甲氧基]乙基]-1H-咪唑CAS号 : 22916-47-8(DMSO)分子式: C18H14Cl4N2O 分子量: 416.13SMILES: ClC1=CC=C(COC(C[N]2C=CN=C2)C3=C(Cl)C=C(Cl)C=C3)C(=C1)Cl
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Anastrozole (ZD-1033)CAS号 : 120511-73-1(DMSO)分子式: C17H19N5 分子量: 293.37SMILES: CC(C)(C#N)C1=CC(=CC(=C1)C[N]2C=NC=N2)C(C)(C)C#N
![1-[2-(24-二氯苯基)-2-[(24-二氯苯基)甲氧基]乙基]-1H-咪唑](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/ad749d2b3d22cf8c01ccf166d5754002/M/4/M407984.png)
