General Information of the Compound
| Compound ID |
CP0499705
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| Compound Name |
US9314468, Table 7, Compound 97
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| Structure |
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| Formula |
C36H37N5O2
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| Molecular Weight |
571.725
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| Canonical SMILES |
CC(C)CN(Cc1nccc2c3ccccc3n(CCCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C36H37N5O2/c1-24(2)22-39(32-16-7-10-25-11-8-18-38-33(25)32)23-30-34-27(17-19-37-30)26-12-5-6-15-31(26)40(34)20-9-21-41-35(42)28-13-3-4-14-29(28)36(41)43/h3-6,8,11-15,17-19,24,32H,7,9-10,16,20-23H2,1-2H3/t32-/m0/s1
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| InChIKey |
BPGUKRWORCWNBI-YTTGMZPUSA-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