General Information of the Compound
| Compound ID |
CP0423108
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| Compound Name |
2-{4-[2-Amino-3-(4-fluoro-phenyl)-propionyl]-3-[2-(pyridin-2-ylamino)-ethyl]-piperazin-1-yl}-N-methyl-3-naphthalen-2-yl-propionamide
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| Structure |
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| Formula |
C34H37FN6O3
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| Molecular Weight |
596.707
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| Canonical SMILES |
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCNc2ccccn2)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
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| InChI |
InChI=1S/C34H37FN6O3/c1-37-32(42)30(22-24-9-12-25-6-2-3-7-26(25)20-24)41-19-18-40(33(43)28(36)21-23-10-13-27(35)14-11-23)29(34(41)44)15-17-39-31-8-4-5-16-38-31/h2-14,16,20,28-30H,15,17-19,21-22,36H2,1H3,(H,37,42)(H,38,39)/t28-,29+,30+/m1/s1
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| InChIKey |
OEIGIBOHBGEWLY-NGDRWEMDSA-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: PT01325, Melanocortin receptor 3
Protein ID: PT00914, Melanocortin receptor 4
Protein ID: PT00911, Melanocyte-stimulating hormone receptor