General Information of the Compound
| Compound ID |
CP0556851
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| Compound Name |
7-[6-(dimethylamino)pyridin-3-yl]-N-[[(3S)-piperidin-3-yl]methyl]quinolin-5-amine
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| Structure |
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| Formula |
C22H27N5
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| Molecular Weight |
361.493
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| Canonical SMILES |
CN(C)c1ccc(cn1)-c1cc(NC[C@H]2CCCNC2)c2cccnc2c1
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| InChI |
InChI=1S/C22H27N5/c1-27(2)22-8-7-17(15-26-22)18-11-20-19(6-4-10-24-20)21(12-18)25-14-16-5-3-9-23-13-16/h4,6-8,10-12,15-16,23,25H,3,5,9,13-14H2,1-2H3/t16-/m0/s1
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| InChIKey |
XFIFRGSEYNEXIW-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