General Information of the Compound
| Compound ID |
CP0952516
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| Compound Name |
3-(1-(4-chlorophenyl)-2-nitroethyl)-2-phenyl-1H-indole
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| Structure |
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| Formula |
C22H17ClN2O2
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| Molecular Weight |
376.843
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| Canonical SMILES |
O=[N+]([O-])CC(c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2ccccc12
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| InChI |
InChI=1S/C22H17ClN2O2/c23-17-12-10-15(11-13-17)19(14-25(26)27)21-18-8-4-5-9-20(18)24-22(21)16-6-2-1-3-7-16/h1-13,19,24H,14H2
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| InChIKey |
CHJFRJUWKRNQIK-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