General Information of the Compound
| Compound ID |
CP0911737
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| Compound Name |
3-(2-nitro-1-(2-(pyrrolidin-1-yl)phenyl)ethyl)-2-phenyl-1H-indole
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| Formula |
C26H25N3O2
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| Molecular Weight |
411.505
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| Canonical SMILES |
O=[N+]([O-])CC(c1ccccc1N1CCCC1)c1c(-c2ccccc2)[nH]c2ccccc12
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| InChI |
InChI=1S/C26H25N3O2/c30-29(31)18-22(20-12-5-7-15-24(20)28-16-8-9-17-28)25-21-13-4-6-14-23(21)27-26(25)19-10-2-1-3-11-19/h1-7,10-15,22,27H,8-9,16-18H2
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| InChIKey |
YCQBDGNPPUADRU-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