General Information of the Compound
| Compound ID |
CP0454984
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| Compound Name |
4-cyclohexylamino-6-[(pyridin-3-ylmethyl)-amino]-[1,7]naphthyridine-3-carbonitrile
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| Structure |
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| Formula |
C21H22N6
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| Molecular Weight |
358.449
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| Canonical SMILES |
N#Cc1cnc2cnc(NCc3cccnc3)cc2c1NC1CCCCC1
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| InChI |
InChI=1S/C21H22N6/c22-10-16-13-24-19-14-26-20(25-12-15-5-4-8-23-11-15)9-18(19)21(16)27-17-6-2-1-3-7-17/h4-5,8-9,11,13-14,17H,1-3,6-7,12H2,(H,24,27)(H,25,26)
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| InChIKey |
YZGIQVIHULYDNX-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