General Information of the Compound
| Compound ID |
CP0391045
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| Compound Name |
(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[(2R)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]-3-phenylpropanamide
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| Structure |
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| Formula |
C31H36N8O5S
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| Molecular Weight |
632.747
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C31H36N8O5S/c1-18(40)36-26(13-21-15-33-17-35-21)30(43)38-25(11-19-7-3-2-4-8-19)29(42)39-27(16-45)31(44)37-24(28(32)41)12-20-14-34-23-10-6-5-9-22(20)23/h2-10,14-15,17,24-27,34,45H,11-13,16H2,1H3,(H2,32,41)(H,33,35)(H,36,40)(H,37,44)(H,38,43)(H,39,42)/t24-,25+,26-,27-/m0/s1
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| InChIKey |
MQQBPDHRDGGUNE-XUJYPJAKSA-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