General Information of the Compound
| Compound ID |
CP0466837
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| Compound Name |
(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methylpentanamide
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| Structure |
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| Formula |
C34H42N8O5
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| Molecular Weight |
642.761
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)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/C34H42N8O5/c1-20(2)13-28(32(45)40-27(31(35)44)15-23-17-37-26-12-8-7-11-25(23)26)41-33(46)29(14-22-9-5-4-6-10-22)42-34(47)30(39-21(3)43)16-24-18-36-19-38-24/h4-12,17-20,27-30,37H,13-16H2,1-3H3,(H2,35,44)(H,36,38)(H,39,43)(H,40,45)(H,41,46)(H,42,47)/t27-,28-,29+,30-/m0/s1
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| InChIKey |
VOVYKOVFUGRMDU-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: PT01431, Melanocortin receptor 4
Protein ID: PT01528, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor