General Information of the Compound
| Compound ID |
CP0530401
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| Compound Name |
US8802711, 144
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| Structure |
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| Formula |
C25H32N4O3
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| Molecular Weight |
436.556
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| Canonical SMILES |
COCCN(C)C1Cc2ccc(NC(=O)N[C@@H]3CC[C@@H](C3)c3ccccc3)cc2NC1=O
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| InChI |
InChI=1S/C25H32N4O3/c1-29(12-13-32-2)23-15-19-9-11-21(16-22(19)28-24(23)30)27-25(31)26-20-10-8-18(14-20)17-6-4-3-5-7-17/h3-7,9,11,16,18,20,23H,8,10,12-15H2,1-2H3,(H,28,30)(H2,26,27,31)/t18-,20+,23?/m0/s1
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| InChIKey |
OLPKNPZTKHTEEO-CDOORCJHSA-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