General Information of the Compound
| Compound ID |
CP0475036
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| Compound Name |
CHEMBL506520
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| Formula |
C33H38N8O
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| Molecular Weight |
562.722
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| Canonical SMILES |
CC(C)(C)[C@H]1CC[C@@H](CC1)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)c1nc2ccccc2n1Cc1ccccc1
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| InChI |
InChI=1S/C33H38N8O/c1-33(2,3)26-17-19-27(20-18-26)40(21-24-13-15-25(16-14-24)30(42)35-31-36-38-39-37-31)32-34-28-11-7-8-12-29(28)41(32)22-23-9-5-4-6-10-23/h4-16,26-27H,17-22H2,1-3H3,(H2,35,36,37,38,39,42)/t26-,27-
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| InChIKey |
FXJJYZOPMRBMIK-MCZWQBSQSA-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