General Information of the Compound
| Compound ID |
CP0467122
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| Compound Name |
1-[[4-[2-(2-methoxyphenyl)ethyl-pyrrolidin-3-ylcarbamoyl]phenyl]methyl]piperidine-3-carboxamide
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| Structure |
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| Formula |
C27H36N4O3
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| Molecular Weight |
464.61
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| Canonical SMILES |
COc1ccccc1CCN(C1CCNC1)C(=O)c1ccc(CN2CCCC(C2)C(N)=O)cc1
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| InChI |
InChI=1S/C27H36N4O3/c1-34-25-7-3-2-5-21(25)13-16-31(24-12-14-29-17-24)27(33)22-10-8-20(9-11-22)18-30-15-4-6-23(19-30)26(28)32/h2-3,5,7-11,23-24,29H,4,6,12-19H2,1H3,(H2,28,32)
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| InChIKey |
ISWGUYYQOFWZJA-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