General Information of the Compound
| Compound ID |
CP0389097
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| Compound Name |
(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]hexanamide
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| Structure |
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| Formula |
C34H41ClN8O5
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| Molecular Weight |
677.206
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| Canonical SMILES |
CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C34H41ClN8O5/c1-3-4-8-27(32(46)42-28(31(36)45)15-22-17-38-26-9-6-5-7-25(22)26)41-33(47)29(14-21-10-12-23(35)13-11-21)43-34(48)30(40-20(2)44)16-24-18-37-19-39-24/h5-7,9-13,17-19,27-30,38H,3-4,8,14-16H2,1-2H3,(H2,36,45)(H,37,39)(H,40,44)(H,41,47)(H,42,46)(H,43,48)/t27-,28-,29+,30-/m0/s1
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| InChIKey |
LAGYTFPAISIXPZ-ZXYZSCNASA-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: PT01804, Melanocortin receptor 5
Protein ID: PT00911, Melanocyte-stimulating hormone receptor