General Information of the Compound
| Compound ID |
CP0927505
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| Compound Name |
US9199981, F15
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| Structure |
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| Formula |
C25H24N6O3
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| Molecular Weight |
456.506
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| Canonical SMILES |
Cc1ccc(-c2noc(C3CC(=NOCC4CC4)C3)n2)cc1NC(=O)c1cnc2ccccn12
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| InChI |
InChI=1S/C25H24N6O3/c1-15-5-8-17(12-20(15)27-24(32)21-13-26-22-4-2-3-9-31(21)22)23-28-25(34-30-23)18-10-19(11-18)29-33-14-16-6-7-16/h2-5,8-9,12-13,16,18H,6-7,10-11,14H2,1H3,(H,27,32)
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| InChIKey |
SJOBZOWGSQODEZ-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