General Information of the Compound
| Compound ID |
CP0914340
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| Compound Name |
(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-4-yl)propanoyl]amino]-N-[(1R)-2-[(3R)-3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-1-[(4-phenylphenyl)methyl]ethyl]pentanediamide
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| Formula |
C38H42N8O6
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| Molecular Weight |
706.804
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O
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| InChI |
InChI=1S/C38H42N8O6/c1-23(47)43-31(19-29-20-41-22-42-29)37(51)44-30(15-16-34(39)48)36(50)45-32(17-24-11-13-26(14-12-24)25-7-3-2-4-8-25)38(52)46-21-28-10-6-5-9-27(28)18-33(46)35(40)49/h2-14,20,22,30-33H,15-19,21H2,1H3,(H2,39,48)(H2,40,49)(H,41,42)(H,43,47)(H,44,51)(H,45,50)/t30-,31-,32+,33+/m0/s1
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| InChIKey |
MKWJFYTWCUVRPG-UYEZAFAQSA-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