General Information of the Compound
| Compound ID |
CP0389093
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| Compound Name |
(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-naphthalen-2-ylpropanoyl]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 |
C38H44N8O5
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| Molecular Weight |
692.821
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| Canonical SMILES |
CCCC[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)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/C38H44N8O5/c1-3-4-12-31(36(49)45-32(35(39)48)18-27-20-41-30-13-8-7-11-29(27)30)44-37(50)33(17-24-14-15-25-9-5-6-10-26(25)16-24)46-38(51)34(43-23(2)47)19-28-21-40-22-42-28/h5-11,13-16,20-22,31-34,41H,3-4,12,17-19H2,1-2H3,(H2,39,48)(H,40,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)/t31-,32-,33+,34-/m0/s1
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| InChIKey |
JXCZYVVQVLLWMQ-HVRNLMOBSA-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: PT00911, Melanocyte-stimulating hormone receptor