General Information of the Compound
| Compound ID |
CP0460656
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| Compound Name |
(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[(2R)-1-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]pentanediamide
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| Structure |
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| Formula |
C31H43ClN8O6
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| Molecular Weight |
659.188
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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)N[C@@H](CC1CCCCC1)C(N)=O
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| InChI |
InChI=1S/C31H43ClN8O6/c1-18(41)37-26(15-22-16-35-17-36-22)31(46)38-23(11-12-27(33)42)29(44)40-25(14-20-7-9-21(32)10-8-20)30(45)39-24(28(34)43)13-19-5-3-2-4-6-19/h7-10,16-17,19,23-26H,2-6,11-15H2,1H3,(H2,33,42)(H2,34,43)(H,35,36)(H,37,41)(H,38,46)(H,39,45)(H,40,44)/t23-,24-,25+,26-/m0/s1
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| InChIKey |
DSPKUBIDSPBFFS-SSUZURRFSA-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