General Information of the Compound
| Compound ID |
CP0564888
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| Compound Name |
US9187424, 189
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| Structure |
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| Formula |
C29H29N3O4
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| Molecular Weight |
483.568
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| Canonical SMILES |
COc1ccc(NC(=O)C2=C(CC(C)(NC2=O)C(=O)NCc2ccccc2)c2ccc(C)cc2)cc1
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| InChI |
InChI=1S/C29H29N3O4/c1-19-9-11-21(12-10-19)24-17-29(2,28(35)30-18-20-7-5-4-6-8-20)32-27(34)25(24)26(33)31-22-13-15-23(36-3)16-14-22/h4-16H,17-18H2,1-3H3,(H,30,35)(H,31,33)(H,32,34)
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| InChIKey |
UMQPYDIQSPGXPZ-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