General Information of the Compound
| Compound ID |
CP0445399
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| Compound Name |
4-tert-butylamino-6-[(pyridin-3-ylmethyl)-amino]-[1,7]naphthyridine-3-carbonitrile
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| Structure |
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| Formula |
C19H20N6
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| Molecular Weight |
332.411
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| Canonical SMILES |
CC(C)(C)Nc1c(cnc2cnc(NCc3cccnc3)cc12)C#N
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| InChI |
InChI=1S/C19H20N6/c1-19(2,3)25-18-14(8-20)11-22-16-12-24-17(7-15(16)18)23-10-13-5-4-6-21-9-13/h4-7,9,11-12H,10H2,1-3H3,(H,22,25)(H,23,24)
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| InChIKey |
PQYJKLZRUGHKFR-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