General Information of the Compound
| Compound ID |
CP0960024
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| Compound Name |
US8993765, 11
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| Structure |
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| Formula |
C25H24N4O3
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| Molecular Weight |
428.492
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| Canonical SMILES |
CC(=O)N1CCc2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc3n2C)C1
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| InChI |
InChI=1S/C25H24N4O3/c1-17(30)28-12-11-22-21(15-28)20-8-9-23(26-25(20)27(22)2)29-13-10-19(14-24(29)31)32-16-18-6-4-3-5-7-18/h3-10,13-14H,11-12,15-16H2,1-2H3
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| InChIKey |
LDHJSAXVKQPREU-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