General Information of the Compound
| Compound ID |
CP0880183
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| Compound Name |
(rel)-N-((3-benzyl-8-(bis(2-chlorophenyl)methyl)-8-aza-bicyclo[3.2.1]octan-3-yl)methyl)ethanamine
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| Formula |
C30H34Cl2N2
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| Molecular Weight |
493.522
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| Canonical SMILES |
CCNC[C@]1(Cc2ccccc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C30H34Cl2N2/c1-2-33-21-30(18-22-10-4-3-5-11-22)19-23-16-17-24(20-30)34(23)29(25-12-6-8-14-27(25)31)26-13-7-9-15-28(26)32/h3-15,23-24,29,33H,2,16-21H2,1H3/t23-,24+,30-
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| InChIKey |
FKFGLBKGJLUEHY-PYHIPCLTSA-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