General Information of the Compound
| Compound ID |
CP0415221
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| Compound Name |
4-[3-(4-nitrophenyl)-1-adamantyl]benzonitrile
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| Structure |
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| Formula |
C23H22N2O2
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| Molecular Weight |
358.441
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)C12CC3CC(CC(C3)(C1)c1ccc(cc1)C#N)C2
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| InChI |
InChI=1S/C23H22N2O2/c24-14-16-1-3-19(4-2-16)22-10-17-9-18(11-22)13-23(12-17,15-22)20-5-7-21(8-6-20)25(26)27/h1-8,17-18H,9-13,15H2
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| InChIKey |
ZCQIJZCCPGBHMZ-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