General Information of the Compound
| Compound ID |
CP0952514
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| Compound Name |
3-(2-nitro-1-(3-(trifluoromethyl)phenyl)ethyl)-2-phenyl-1H-indole
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| Formula |
C23H17F3N2O2
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| Molecular Weight |
410.395
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| Canonical SMILES |
O=[N+]([O-])CC(c1cccc(C(F)(F)F)c1)c1c(-c2ccccc2)[nH]c2ccccc12
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| InChI |
InChI=1S/C23H17F3N2O2/c24-23(25,26)17-10-6-9-16(13-17)19(14-28(29)30)21-18-11-4-5-12-20(18)27-22(21)15-7-2-1-3-8-15/h1-13,19,27H,14H2
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| InChIKey |
JSHSNUYOBHZEBV-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