General Information of the Compound
| Compound ID |
CP0436880
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| Compound Name |
(S)-N-(4-Amino-butyl)-2-(3-benzyl-ureido)-4-phenyl-butyramide
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| Structure |
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| Formula |
C22H30N4O2
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| Molecular Weight |
382.508
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| Canonical SMILES |
NCCCCNC(=O)[C@H](CCc1ccccc1)NC(=O)NCc1ccccc1
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| InChI |
InChI=1S/C22H30N4O2/c23-15-7-8-16-24-21(27)20(14-13-18-9-3-1-4-10-18)26-22(28)25-17-19-11-5-2-6-12-19/h1-6,9-12,20H,7-8,13-17,23H2,(H,24,27)(H2,25,26,28)/t20-/m0/s1
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| InChIKey |
ZYEKZRBOJZGNEJ-FQEVSTJZSA-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: PT02450, Melanocortin receptor 3
Protein ID: PT01431, Melanocortin receptor 4
Protein ID: PT01528, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor