General Information of the Compound
| Compound ID |
CP0558577
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| Compound Name |
N-[(3,4-dichlorophenyl)methyl]-1-[2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-amine
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| Structure |
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| Formula |
C24H27Cl2N3O
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| Molecular Weight |
444.406
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| Canonical SMILES |
COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(Cl)c(Cl)c3)c2c1
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| InChI |
InChI=1S/C24H27Cl2N3O/c1-30-20-3-5-24-21(15-20)18(6-10-27-24)7-11-29-12-8-19(9-13-29)28-16-17-2-4-22(25)23(26)14-17/h2-6,10,14-15,19,28H,7-9,11-13,16H2,1H3
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| InChIKey |
SCQBQJIZZMUKGD-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