General Information of the Compound
| Compound ID |
CP0496854
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| Compound Name |
2-Methoxy-4-[3-(3-phenylamino-phenyl)-ureido]-N-(3-piperidin-1-yl-propyl)-benzamide
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| Structure |
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| Formula |
C29H35N5O3
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| Molecular Weight |
501.631
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| Canonical SMILES |
COc1cc(NC(=O)Nc2cccc(Nc3ccccc3)c2)ccc1C(=O)NCCCN1CCCCC1
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| InChI |
InChI=1S/C29H35N5O3/c1-37-27-21-25(14-15-26(27)28(35)30-16-9-19-34-17-6-3-7-18-34)33-29(36)32-24-13-8-12-23(20-24)31-22-10-4-2-5-11-22/h2,4-5,8,10-15,20-21,31H,3,6-7,9,16-19H2,1H3,(H,30,35)(H2,32,33,36)
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| InChIKey |
NTZAIBPEXMVHAW-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: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT02767, Melanin-concentrating hormone receptor 2