General Information of the Compound
| Compound ID |
CP0922383
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| Compound Name |
2-((3,4-dimethylphenyl)(methyl)amino)-1-((2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl)ethanone
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| Structure |
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| Formula |
C27H37N3O
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| Molecular Weight |
419.613
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| Canonical SMILES |
Cc1ccc(N(C)CC(=O)N2CCC[C@H](c3ccccc3)[C@@H]2CN2CCCC2)cc1C
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| InChI |
InChI=1S/C27H37N3O/c1-21-13-14-24(18-22(21)2)28(3)20-27(31)30-17-9-12-25(23-10-5-4-6-11-23)26(30)19-29-15-7-8-16-29/h4-6,10-11,13-14,18,25-26H,7-9,12,15-17,19-20H2,1-3H3/t25-,26+/m1/s1
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| InChIKey |
WVWUPXWGGTWURQ-FTJBHMTQSA-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