General Information of the Compound
| Compound ID |
CP0551110
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| Compound Name |
US8993586, 48
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| Structure |
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| Formula |
C25H29N5O3
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| Molecular Weight |
447.539
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| Canonical SMILES |
COc1ccc2ncc(cc2c1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
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| InChI |
InChI=1S/C25H29N5O3/c1-24(2,3)30-15-18-13-25(27-22(31)21(18)28-30)7-9-29(10-8-25)23(32)17-11-16-12-19(33-4)5-6-20(16)26-14-17/h5-6,11-12,14-15H,7-10,13H2,1-4H3,(H,27,31)
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| InChIKey |
DVCKWTMTILVTGG-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