General Information of the Compound
| Compound ID |
CP0559263
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| Compound Name |
US9481682, 6
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| Structure |
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| Formula |
C26H25N7O2
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| Molecular Weight |
467.533
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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| InChI |
InChI=1S/C26H25N7O2/c27-24-23-22(16-4-6-17(7-5-16)26(35)30-20-3-1-2-12-28-20)31-25(32(23)14-13-29-24)18-8-9-19-10-11-21(34)33(19)15-18/h1-7,12-14,18-19H,8-11,15H2,(H2,27,29)(H,28,30,35)/t18-,19+/m1/s1
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| InChIKey |
OYIGNIXJLMTTNI-MOPGFXCFSA-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