小分子和化合物库
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2-(2,6-二氧代 - 哌啶-3-基)-4-羟基 - 异吲哚-1,3-二酮CAS号: 5054-59-1分子式: C13H10N2O5 分子量: 274.23IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dioneSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OInChIKey: XMPJICVFSDYOEG-UHFFFAOYSA-NInChI: 1S/C13H10N2O5/c16-8-3-1-2-6-10(8)13(20)15(12(6)19)7-4-5-9(17)14-11(7)18/h1-3,7,16H,4-5H2,(H,14,17,18)
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沙利度胺-NH-C4-NH-BocCAS号: 2093388-52-2 Compound CID : 138694407分子式: C22H28N4O6 分子量: 444.48IUPAC Name: tert-butyl N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]carbamateSMILES: CC(C)(C)OC(=O)NCCCCNC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=OInChIKey: OYPNLZMEXLFKLB-UHFFFAOYSA-NInChI: 1S/C22H28N4O6/c1-22(2,3)32-21(31)24-12-5-4-11-23-14-8-6-7-13-17(14)20(30)26(19(13)29)15-9-10-16(27)25-18(15)28/h6-8,15,23H,4-5,9-12H2,1-3H3,(H,24,31)(H,25,27,28)
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MT-802CAS号: 2231744-29-7分子式: C41H41N9O8 分子量: 787.82IUPAC Name: 2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamideSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)COCCOCCN4CCC(CC4)N5C6=NC=NC(=C6C(=N5)C7=CC=C(C=C7)OC8=CC=CC=C8)NInChIKey: AJTLGUJXIKEZCQ-UHFFFAOYSA-NInChI: See more
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PROTAC RAR Degrader-1CAS号: 1351169-27-1 Compound CID : 54764325分子式: C51H72N4O11 分子量: 917.14IUPAC Name: See moreSMILES: CC(C)CC(C(=O)NCCOCCOCCOCC(=O)NCCCOC1=C(C=CC(=C1)C=CC(=O)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)C(=O)O)NC(=O)C(C(CC3=CC=CC=C3)N)OInChIKey: ZAOSGDCLGNWLSI-ACALULJJSA-NInChI: See more
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SHP2-D26CAS号: 2458219-65-1分子式: C56H79ClN12O6S2 分子量: 1115.89SMILES: ClC(C(SC1=NC=C(N2CCC(N)(CC2)C)N=C1N)=CC=C3)=C3NC(CCC(N(CC4)CCN4CCCCCCCCC(N[C@@H](C(C)(C)C)C(N5[C@@H](C[C@H](C5)O)C(N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C)=O)=O)=O)=O)=O
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dFKBP-1CAS号: 1799711-22-0 Compound CID : 121427836分子式: C53H64N6O14 分子量: 1009.11IUPAC Name: See moreSMILES: CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCC2=CC(=C(C=C2)OC)OC)C3=CC(=CC=C3)NC(=O)CCC(=O)NCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=OInChIKey: RIBCWKRMNKOGRN-GGJINPDOSA-NInChI: See more
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泊马利度胺4'-烷基C5-胺盐酸盐CAS号: 2375194-03-7 Compound CID : 139211245分子式: C18H22N4O4.HCl 分子量: 394.86IUPAC Name: 4-(5-aminopentylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochlorideSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCCCN.ClInChIKey: WJDRWFHGNHTFHU-UHFFFAOYSA-NInChI: 1S/C18H22N4O4.ClH/c19-9-2-1-3-10-20-12-6-4-5-11-15(12)18(26)22(17(11)25)13-7-8-14(23)21-16(13)24;/h4-6,13,20H,1-3,7-10,19H2,(H,21,23,24);1H
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(S)-(-)-沙利度胺分子式: C13H10N2O4 分子量: 258.23IUPAC Name: 2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dioneSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=OInChIKey: UEJJHQNACJXSKW-VIFPVBQESA-NInChI: 1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m0/s1
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