General Information of the Compound
| Compound ID |
CP0924778
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| Compound Name |
2-((3-methoxyphenyl)(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 |
C26H35N3O2
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| Molecular Weight |
421.585
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| Canonical SMILES |
COc1cccc(N(C)CC(=O)N2CCC[C@H](c3ccccc3)[C@@H]2CN2CCCC2)c1
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| InChI |
InChI=1S/C26H35N3O2/c1-27(22-12-8-13-23(18-22)31-2)20-26(30)29-17-9-14-24(21-10-4-3-5-11-21)25(29)19-28-15-6-7-16-28/h3-5,8,10-13,18,24-25H,6-7,9,14-17,19-20H2,1-2H3/t24-,25+/m1/s1
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| InChIKey |
CRWQTOUUPSCJOR-RPBOFIJWSA-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