General Information of the Compound
| Compound ID |
CP0184830
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| Compound Name |
4-[(8-Phenethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-phenyl-methyl]-N,N-dipropyl-benzamide
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| Structure |
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| Formula |
C35H42N2O
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| Molecular Weight |
506.734
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| Canonical SMILES |
CCCN(CCC)C(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C35H42N2O/c1-3-22-36(23-4-2)35(38)30-17-15-29(16-18-30)34(28-13-9-6-10-14-28)31-25-32-19-20-33(26-31)37(32)24-21-27-11-7-5-8-12-27/h5-18,32-33H,3-4,19-26H2,1-2H3
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| InChIKey |
MPHVSAOSKNRUSS-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