General Information of the Compound
| Compound ID |
CP0333818
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| Compound Name |
CHEMBL470955
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| Formula |
C29H38N8O
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| Molecular Weight |
514.678
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| Canonical SMILES |
Cc1cc2nc(N(Cc3ccc(cc3)C(=O)Nc3nnn[nH]3)[C@H]3CC[C@@H](CC3)C(C)(C)C)n(C)c2cc1C
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| InChI |
InChI=1S/C29H38N8O/c1-18-15-24-25(16-19(18)2)36(6)28(30-24)37(23-13-11-22(12-14-23)29(3,4)5)17-20-7-9-21(10-8-20)26(38)31-27-32-34-35-33-27/h7-10,15-16,22-23H,11-14,17H2,1-6H3,(H2,31,32,33,34,35,38)/t22-,23-
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| InChIKey |
GLRUMVHZMOEWPW-YHBQERECSA-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