General Information of the Compound
| Compound ID |
CP0503547
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| Compound Name |
1-benzyl-3-(4-nitrophenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
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| Structure |
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| Formula |
C20H19N3O2
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| Molecular Weight |
333.391
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)-c1cn(Cc2ccccc2)c2CCNCc12
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| InChI |
InChI=1S/C20H19N3O2/c24-23(25)17-8-6-16(7-9-17)19-14-22(13-15-4-2-1-3-5-15)20-10-11-21-12-18(19)20/h1-9,14,21H,10-13H2
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| InChIKey |
RRNFUERFLAQKGW-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