General Information of the Compound
| Compound ID |
CP0448472
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| Compound Name |
2-(3-Benzyl-ureido)-3-(1H-indol-3-yl)-N-(3-methyl-benzyl)-propionamide
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| Structure |
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| Formula |
C27H28N4O2
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| Molecular Weight |
440.547
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| Canonical SMILES |
Cc1cccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)NCc2ccccc2)c1
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| InChI |
InChI=1S/C27H28N4O2/c1-19-8-7-11-21(14-19)17-29-26(32)25(15-22-18-28-24-13-6-5-12-23(22)24)31-27(33)30-16-20-9-3-2-4-10-20/h2-14,18,25,28H,15-17H2,1H3,(H,29,32)(H2,30,31,33)/t25-/m0/s1
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| InChIKey |
IBFSTESMBHZKAL-VWLOTQADSA-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