General Information of the Compound
| Compound ID |
CP0529302
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| Compound Name |
US8629158, 35
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| Structure |
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| Formula |
C25H24N4O
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| Molecular Weight |
396.494
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| Canonical SMILES |
Cc1ccc(cn1)-c1ccn(-c2ccc3c4C5CCC(Cc4n(C)c3c2)N5)c(=O)c1
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| InChI |
InChI=1S/C25H24N4O/c1-15-3-4-17(14-26-15)16-9-10-29(24(30)11-16)19-6-7-20-22(13-19)28(2)23-12-18-5-8-21(27-18)25(20)23/h3-4,6-7,9-11,13-14,18,21,27H,5,8,12H2,1-2H3
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| InChIKey |
LJHHXJOXVGZINW-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