General Information of the Compound
| Compound ID |
CP0434017
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| Compound Name |
3-(2-nitro-1-phenylethyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine
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| Structure |
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| Formula |
C21H17N3O2
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| Molecular Weight |
343.386
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| Canonical SMILES |
[O-][N+](=O)CC(c1c([nH]c2cccnc12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C21H17N3O2/c25-24(26)14-17(15-8-3-1-4-9-15)19-20(16-10-5-2-6-11-16)23-18-12-7-13-22-21(18)19/h1-13,17,23H,14H2
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| InChIKey |
VLVYYGZJOPTEHT-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