General Information of the Compound
| Compound ID |
CP0569285
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| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-4-methoxy-1,3-thiazole-5-carboxamide
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| Formula |
C33H33N7O9S
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| Molecular Weight |
703.734
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| Canonical SMILES |
COc1nc(sc1C(=O)NCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C33H33N7O9S/c1-48-30-26(50-31(39-30)18-11-14-34-22(15-18)37-27(43)17-7-8-17)29(45)36-13-3-2-12-35-24(42)16-49-21-6-4-5-19-25(21)33(47)40(32(19)46)20-9-10-23(41)38-28(20)44/h4-6,11,14-15,17,20H,2-3,7-10,12-13,16H2,1H3,(H,35,42)(H,36,45)(H,34,37,43)(H,38,41,44)
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| InChIKey |
NBMXZZVIVCEUFF-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound