General Information of the Compound
| Compound ID |
CP0442462
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| Compound Name |
N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
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| Structure |
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| Formula |
C20H20ClN3
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| Molecular Weight |
337.854
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| Canonical SMILES |
Clc1cccc(CN2CCC(C2)Nc2cccc3cnccc23)c1
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| InChI |
InChI=1S/C20H20ClN3/c21-17-5-1-3-15(11-17)13-24-10-8-18(14-24)23-20-6-2-4-16-12-22-9-7-19(16)20/h1-7,9,11-12,18,23H,8,10,13-14H2
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| InChIKey |
UHJHCLYQRUAKGN-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