General Information of the Compound
| Compound ID |
CP0515788
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| Compound Name |
N-(2-aminoethyl)-4-(3,4-dimethylphenoxy)-3-(3-phenylpropanoylamino)benzamide
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| Structure |
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| Formula |
C26H29N3O3
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| Molecular Weight |
431.536
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| Canonical SMILES |
Cc1ccc(Oc2ccc(cc2NC(=O)CCc2ccccc2)C(=O)NCCN)cc1C
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| InChI |
InChI=1S/C26H29N3O3/c1-18-8-11-22(16-19(18)2)32-24-12-10-21(26(31)28-15-14-27)17-23(24)29-25(30)13-9-20-6-4-3-5-7-20/h3-8,10-12,16-17H,9,13-15,27H2,1-2H3,(H,28,31)(H,29,30)
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| InChIKey |
ULLWLUHPSGMYNC-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