General Information of the Compound
| Compound ID |
CP0564136
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| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyhexoxy]-N-methyl-1,3-thiazole-5-carboxamide
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| Formula |
C33H34N6O8S
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| Molecular Weight |
674.736
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| Canonical SMILES |
CNC(=O)c1sc(nc1OCCCCCCOc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C33H34N6O8S/c1-34-29(43)26-30(38-31(48-26)19-13-14-35-23(17-19)36-27(41)18-9-10-18)47-16-5-3-2-4-15-46-22-8-6-7-20-25(22)33(45)39(32(20)44)21-11-12-24(40)37-28(21)42/h6-8,13-14,17-18,21H,2-5,9-12,15-16H2,1H3,(H,34,43)(H,35,36,41)(H,37,40,42)
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| InChIKey |
BBQRGYRIVXKJFJ-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