General Information of the Compound
| Compound ID |
CP0428367
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| Compound Name |
8-(bis(2-chlorophenyl)methyl)-3-phenyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
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| Structure |
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| Formula |
C27H24Cl2N2
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| Molecular Weight |
447.409
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| Canonical SMILES |
Clc1ccccc1C(N1C2CCC1CC(C2)(C#N)c1ccccc1)c1ccccc1Cl
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| InChI |
InChI=1S/C27H24Cl2N2/c28-24-12-6-4-10-22(24)26(23-11-5-7-13-25(23)29)31-20-14-15-21(31)17-27(16-20,18-30)19-8-2-1-3-9-19/h1-13,20-21,26H,14-17H2
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| InChIKey |
BOSGQVHMGISLBE-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