General Information of the Compound
| Compound ID |
CP0531980
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| Compound Name |
6-[(2-aminocyclohexyl)amino]-8-(3-methylanilino)-3,4-dihydro-2H-2,7-naphthyridin-1-one
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| Structure |
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| Formula |
C21H27N5O
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| Molecular Weight |
365.481
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| Canonical SMILES |
Cc1cccc(Nc2nc(NC3CCCCC3N)cc3CCNC(=O)c23)c1
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| InChI |
InChI=1S/C21H27N5O/c1-13-5-4-6-15(11-13)24-20-19-14(9-10-23-21(19)27)12-18(26-20)25-17-8-3-2-7-16(17)22/h4-6,11-12,16-17H,2-3,7-10,22H2,1H3,(H,23,27)(H2,24,25,26)
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| InChIKey |
MCKWNSLSBBIMNO-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