General Information of the Compound
| Compound ID |
CP0286049
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| Compound Name |
4-{[8-(2-Cyclohexyl-ethyl)-8-aza-bicyclo[3.2.1]oct-3-ylidene]-phenyl-methyl}-N,N-diethyl-benzamide
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| Structure |
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| Formula |
C33H44N2O
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| Molecular Weight |
484.728
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCC1CCCCC1)c1ccccc1
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| InChI |
InChI=1S/C33H44N2O/c1-3-34(4-2)33(36)28-17-15-27(16-18-28)32(26-13-9-6-10-14-26)29-23-30-19-20-31(24-29)35(30)22-21-25-11-7-5-8-12-25/h6,9-10,13-18,25,30-31H,3-5,7-8,11-12,19-24H2,1-2H3
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| InChIKey |
WBUVKLBYJIXWCO-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