General Information of the Compound
| Compound ID |
CP0492864
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| Compound Name |
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine
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| Structure |
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| Formula |
C21H22ClN3
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| Molecular Weight |
351.881
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| Canonical SMILES |
Clc1ccc(CN2CCCC(C2)Nc2cccc3cnccc23)cc1
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| InChI |
InChI=1S/C21H22ClN3/c22-18-8-6-16(7-9-18)14-25-12-2-4-19(15-25)24-21-5-1-3-17-13-23-11-10-20(17)21/h1,3,5-11,13,19,24H,2,4,12,14-15H2
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| InChIKey |
AHBYTGBWKOEDEE-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