General Information of the Compound
| Compound ID |
CP0454983
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| Compound Name |
4-cyclopentylamino-6-[(pyridin-3-ylmethyl)-amino]-[1,7]naphthyridine-3-carbonitrile
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| Structure |
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| Formula |
C20H20N6
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| Molecular Weight |
344.422
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| Canonical SMILES |
N#Cc1cnc2cnc(NCc3cccnc3)cc2c1NC1CCCC1
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| InChI |
InChI=1S/C20H20N6/c21-9-15-12-23-18-13-25-19(24-11-14-4-3-7-22-10-14)8-17(18)20(15)26-16-5-1-2-6-16/h3-4,7-8,10,12-13,16H,1-2,5-6,11H2,(H,23,26)(H,24,25)
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| InChIKey |
GFQYKLFLRSWWLC-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