General Information of the Compound
| Compound ID |
CP0374895
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| Compound Name |
3-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)ethyl)carbamoyl)phenyl)-1-methyl-1-phenylurea
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| Structure |
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| Formula |
C29H34N4O3
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| Molecular Weight |
486.616
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| Canonical SMILES |
CN(C(=O)Nc1cc(ccc1Oc1ccc(C)c(C)c1)C(=O)NCCN1CCCC1)c1ccccc1
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| InChI |
InChI=1S/C29H34N4O3/c1-21-11-13-25(19-22(21)2)36-27-14-12-23(28(34)30-15-18-33-16-7-8-17-33)20-26(27)31-29(35)32(3)24-9-5-4-6-10-24/h4-6,9-14,19-20H,7-8,15-18H2,1-3H3,(H,30,34)(H,31,35)
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| InChIKey |
LDTSYWQDZCFPED-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
Protein ID: PT01388, Melanin-concentrating hormone receptor 1
Protein ID: PT03304, Melanin-concentrating hormone receptor 1
Protein ID: PT01027, Melanin-concentrating hormone receptor 1