General Information of the Compound
| Compound ID |
CP0523198
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| Compound Name |
4-(3,4-dimethylphenoxy)-3-((1R,2R)-2-phenylcyclopropanecarboxamido)-N-(2-(pyrrolidin-1-yl)ethyl)benzamide
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| Structure |
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| Formula |
C31H35N3O3
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| Molecular Weight |
497.639
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| Canonical SMILES |
Cc1ccc(Oc2ccc(cc2NC(=O)[C@@H]2C[C@H]2c2ccccc2)C(=O)NCCN2CCCC2)cc1C
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| InChI |
InChI=1S/C31H35N3O3/c1-21-10-12-25(18-22(21)2)37-29-13-11-24(30(35)32-14-17-34-15-6-7-16-34)19-28(29)33-31(36)27-20-26(27)23-8-4-3-5-9-23/h3-5,8-13,18-19,26-27H,6-7,14-17,20H2,1-2H3,(H,32,35)(H,33,36)/t26-,27+/m0/s1
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| InChIKey |
OEBDOFXKWLNXSK-RRPNLBNLSA-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
Protein ID: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT01388, Melanin-concentrating hormone receptor 1