General Information of the Compound
| Compound ID |
CP0964133
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| Compound Name |
3-(2-nitro-1-phenylethyl)-2-(1H-pyrrol-3-yl)-1H-indole
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| Structure |
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| Formula |
C20H17N3O2
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| Molecular Weight |
331.375
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| Canonical SMILES |
O=[N+]([O-])CC(c1ccccc1)c1c(-c2cc[nH]c2)[nH]c2ccccc12
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| InChI |
InChI=1S/C20H17N3O2/c24-23(25)13-17(14-6-2-1-3-7-14)19-16-8-4-5-9-18(16)22-20(19)15-10-11-21-12-15/h1-12,17,21-22H,13H2
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| InChIKey |
FIMSOHICNAFOJN-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