General Information of the Compound
| Compound ID |
CP0955954
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| Compound Name |
3-(2-nitro-1-(4-(piperidin-1-yl)phenyl)ethyl)-2-phenyl-1H-indole
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| Structure |
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| Formula |
C27H27N3O2
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| Molecular Weight |
425.532
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| Canonical SMILES |
O=[N+]([O-])CC(c1ccc(N2CCCCC2)cc1)c1c(-c2ccccc2)[nH]c2ccccc12
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| InChI |
InChI=1S/C27H27N3O2/c31-30(32)19-24(20-13-15-22(16-14-20)29-17-7-2-8-18-29)26-23-11-5-6-12-25(23)28-27(26)21-9-3-1-4-10-21/h1,3-6,9-16,24,28H,2,7-8,17-19H2
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| InChIKey |
UBADCCWDOFZBPB-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