General Information of the Compound
| Compound ID |
CP0949688
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| Compound Name |
(rel)-1-((3-benzyl-8-(bis(2-chlorophenyl)methyl)-8-aza-bicyclo[3.2.1]octan-3-yl)methyl)pyrrolidin-2-one
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| Formula |
C32H34Cl2N2O
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| Molecular Weight |
533.543
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| Canonical SMILES |
O=C1CCCN1C[C@@]1(Cc2ccccc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl
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| InChI |
InChI=1S/C32H34Cl2N2O/c33-28-13-6-4-11-26(28)31(27-12-5-7-14-29(27)34)36-24-16-17-25(36)21-32(20-24,19-23-9-2-1-3-10-23)22-35-18-8-15-30(35)37/h1-7,9-14,24-25,31H,8,15-22H2/t24-,25+,32+
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| InChIKey |
OWKXLMNVGWQRGP-IXXHMTOTSA-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