General Information of the Compound
| Compound ID |
CP0490308
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| Compound Name |
(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[(2R)-1-[(3R)-3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]pentanediamide
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| Structure |
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| Formula |
C32H37ClN8O6
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| Molecular Weight |
665.151
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O
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| InChI |
InChI=1S/C32H37ClN8O6/c1-18(42)38-25(14-23-15-36-17-37-23)31(46)39-24(10-11-28(34)43)30(45)40-26(12-19-6-8-22(33)9-7-19)32(47)41-16-21-5-3-2-4-20(21)13-27(41)29(35)44/h2-9,15,17,24-27H,10-14,16H2,1H3,(H2,34,43)(H2,35,44)(H,36,37)(H,38,42)(H,39,46)(H,40,45)/t24-,25-,26+,27+/m0/s1
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| InChIKey |
ZFNZYQPWVFEMEP-GWMMUDDPSA-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