General Information of the Compound
| Compound ID |
CP0427361
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| Compound Name |
4-(1,1-dimethylpropylamino)-6-[(pyridin-3-ylmethyl)amino]-[1,7]naphthyridine-3-carbonitrile
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| Structure |
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| Formula |
C20H22N6
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| Molecular Weight |
346.438
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| Canonical SMILES |
CCC(C)(C)Nc1c(cnc2cnc(NCc3cccnc3)cc12)C#N
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| InChI |
InChI=1S/C20H22N6/c1-4-20(2,3)26-19-15(9-21)12-23-17-13-25-18(8-16(17)19)24-11-14-6-5-7-22-10-14/h5-8,10,12-13H,4,11H2,1-3H3,(H,23,26)(H,24,25)
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| InChIKey |
DOJQARQXHOCGLK-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