首页
400-620-6333
小分子和化合物库
选项
-
Osimertinib (AZD9291)CAS号 : 1421373-65-0(DMSO)分子式: C28 H33 N7 O2 分子量: 499.61SMILES: COC1=C(NC2=NC=CC(=N2)C3=C[N](C)C4=C3C=CC=C4)C=C(NC(=O)C=C)C(=C1)N(C)CCN(C)C
-
Bosutinib (SKI-606)CAS号 : 380843-75-4(DMSO)分子式: C26H29Cl2N5O3 分子量: 530.45SMILES: COC1=C(Cl)C=C(Cl)C(=C1)NC2=C(C=NC3=CC(=C(OC)C=C23)OCCCN4CCN(C)CC4)C#N
-
Dasatinib (BMS-354825)CAS号 : 302962-49-8(DMSO)分子式: C22H26ClN7O2S 分子量: 488.01SMILES: CC1=NC(=CC(=N1)N2CCN(CCO)CC2)NC3=NC=C(S3)C(=O)NC4=C(Cl)C=CC=C4C
-
Erlotinib (OSI-774)CAS号 : 183321-74-6(DMSO)分子式: C22H23N3O4 分子量: 393.44SMILES: COCCOC1=C(OCCOC)C=C2C(=NC=NC2=C1)NC3=CC=CC(=C3)C#C
-
AlprostadilCAS号 : 745-65-3(DMSO)分子式: C20H34O5 分子量: 354.48SMILES: CCCCCC(O)/C=C/C1C(O)CC(=O)C1CCCCCCC(O)=O
-
Sapitinib (AZD8931)CAS号 : 848942-61-0(DMSO)分子式: C23H25ClFN5O3 分子量: 473.93SMILES: CNC(=O)CN1CCC(CC1)OC2=C(OC)C=C3N=CN=C(NC4=C(F)C(=CC=C4)Cl)C3=C2
-
TX1-85-1CAS号 : 1603845-32-4 Compound CID : 78243752分子式: C32H36N8O3 分子量: 580.7IUPAC Name: N-[5-[1-[4-(4-acetylpiperazin-1-yl)cyclohexyl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]-2-phenoxyphenyl]prop-2-enamideSMILES: CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)OC6=CC=CC=C6)NC(=O)C=C)NInChIKey: FYICDSWKKFSYOM-UHFFFAOYSA-NInChI: InChI=1S/C32H36N8O3/c1-3-28(42)36-26-19-22(9-14-27(26)43-25-7-5-4-6-8-25)30-29-31(33)34-20-35-32(29)40(37-30)24-12-10-23(11-13-24)39-17-15-38(16-18-39)21(2)41/h3-9,14,19-20,23-24H,1,10-13,15-18H2,2H3,(H,36,42)(H2,33,34,35)
-
PF-06459988CAS号 : 1428774-45-1 Compound CID : 71535003分子式: C19H22ClN7O3 分子量: 431.88IUPAC Name: 1-[(3R,4R)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxymethyl]-4-methoxypyrrolidin-1-yl]prop-2-en-1-oneSMILES: CN1C=C(C=N1)NC2=NC3=C(C(=CN3)Cl)C(=N2)OCC4CN(CC4OC)C(=O)C=CInChIKey: ODMXWZROLKITMS-RISCZKNCSA-NInChI: InChI=1S/C19H22ClN7O3/c1-4-15(28)27-7-11(14(9-27)29-3)10-30-18-16-13(20)6-21-17(16)24-19(25-18)23-12-5-22-26(2)8-12/h4-6,8,11,14H,1,7,9-10H2,2-3H3,(H2,21,23,24,25)/t11-,14+/m1/s1
-
PF-06459988CAS号 : 1428774-45-1(DMSO)分子式: C19H22ClN7O3 分子量: 431.88SMILES: CN1C=C(C=N1)NC2=NC3=C(C(=CN3)Cl)C(=N2)OCC4CN(CC4OC)C(=O)C=C
-
来那替尼 (HKI-272)CAS号 : 698387-09-6 Compound CID : 9915743分子式: C30H29ClN6O3 分子量: 557.04IUPAC Name: (E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamideSMILES: CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)C=CCN(C)CInChIKey: JWNPDZNEKVCWMY-VQHVLOKHSA-NInChI: InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
-
前列腺素E1分子式: C20H34O5 分子量: 354.48IUPAC Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acidSMILES: CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)OInChIKey: GMVPRGQOIOIIMI-DWKJAMRDSA-NInChI: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1
-
地诺前列素分子式: C20H34O5 分子量: 354.49IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acidSMILES: CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)OInChIKey: PXGPLTODNUVGFL-YNNPMVKQSA-NInChI: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
