General Information of the Compound
| Compound ID |
CP0952512
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| Compound Name |
3-(1-(4-(tert-butyl)phenyl)-2-nitroethyl)-2-phenyl-1H-indole
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| Formula |
C26H26N2O2
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| Molecular Weight |
398.506
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| Canonical SMILES |
CC(C)(C)c1ccc(C(C[N+](=O)[O-])c2c(-c3ccccc3)[nH]c3ccccc23)cc1
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| InChI |
InChI=1S/C26H26N2O2/c1-26(2,3)20-15-13-18(14-16-20)22(17-28(29)30)24-21-11-7-8-12-23(21)27-25(24)19-9-5-4-6-10-19/h4-16,22,27H,17H2,1-3H3
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| InChIKey |
MENNTHVPPUYOQF-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