General Information of the Compound
| Compound ID |
CP0951068
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| Compound Name |
tert-butyl 3'-(2-nitro-1-phenylethyl)-1H,1'H-2,2'-biindole-1-carboxylate
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| Structure |
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| Formula |
C29H27N3O4
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| Molecular Weight |
481.552
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| Canonical SMILES |
CC(C)(C)OC(=O)n1c(-c2[nH]c3ccccc3c2C(C[N+](=O)[O-])c2ccccc2)cc2ccccc21
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| InChI |
InChI=1S/C29H27N3O4/c1-29(2,3)36-28(33)32-24-16-10-7-13-20(24)17-25(32)27-26(21-14-8-9-15-23(21)30-27)22(18-31(34)35)19-11-5-4-6-12-19/h4-17,22,30H,18H2,1-3H3
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| InChIKey |
VYUJZWNTTYFDMR-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