General Information of the Compound
| Compound ID |
CP0407594
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| Compound Name |
1-(3-chlorobenzyl)-3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
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| Structure |
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| Formula |
C20H18Cl2N2
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| Molecular Weight |
357.284
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| Canonical SMILES |
Clc1ccc(cc1)-c1cn(Cc2cccc(Cl)c2)c2CCNCc12
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| InChI |
InChI=1S/C20H18Cl2N2/c21-16-6-4-15(5-7-16)19-13-24(20-8-9-23-11-18(19)20)12-14-2-1-3-17(22)10-14/h1-7,10,13,23H,8-9,11-12H2
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| InChIKey |
CFTXZTGBOFLZHR-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