General Information of the Compound
| Compound ID |
CP0442521
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| Compound Name |
US8802711, 142
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| Structure |
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| Formula |
C25H30N4O3
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| Molecular Weight |
434.54
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| Canonical SMILES |
O=C(N[C@@H]1CC[C@@H](C1)c1ccccc1)Nc1ccc2CC(N3CCOCC3)C(=O)Nc2c1
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| InChI |
InChI=1S/C25H30N4O3/c30-24-23(29-10-12-32-13-11-29)15-19-7-9-21(16-22(19)28-24)27-25(31)26-20-8-6-18(14-20)17-4-2-1-3-5-17/h1-5,7,9,16,18,20,23H,6,8,10-15H2,(H,28,30)(H2,26,27,31)/t18-,20+,23?/m0/s1
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| InChIKey |
ONAHFNVLVGMRIM-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