General Information of the Compound
| Compound ID |
CP0530525
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| Compound Name |
7-(4-methylphenyl)-N-[[(3S)-piperidin-3-yl]methyl]-1,6-naphthyridin-5-amine
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| Structure |
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| Formula |
C21H24N4
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| Molecular Weight |
332.451
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| Canonical SMILES |
Cc1ccc(cc1)-c1cc2ncccc2c(NC[C@H]2CCCNC2)n1
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| InChI |
InChI=1S/C21H24N4/c1-15-6-8-17(9-7-15)19-12-20-18(5-3-11-23-20)21(25-19)24-14-16-4-2-10-22-13-16/h3,5-9,11-12,16,22H,2,4,10,13-14H2,1H3,(H,24,25)/t16-/m0/s1
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| InChIKey |
IWJFCANKVWBSEX-INIZCTEOSA-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