General Information of the Compound
| Compound ID |
CP0427299
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| Compound Name |
1-(3-chlorobenzyl)-3-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
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| Structure |
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| Formula |
C20H19ClN2
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| Molecular Weight |
322.839
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| Canonical SMILES |
Clc1cccc(Cn2cc(c3CNCCc23)-c2ccccc2)c1
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| InChI |
InChI=1S/C20H19ClN2/c21-17-8-4-5-15(11-17)13-23-14-19(16-6-2-1-3-7-16)18-12-22-10-9-20(18)23/h1-8,11,14,22H,9-10,12-13H2
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| InChIKey |
CBWYBVLARINGQE-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