General Information of the Compound
| Compound ID |
CP0375515
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| Compound Name |
2-{{2-[{2-[(2-{Acetyl-[2-(1H-imidazol-4-yl)-ethyl]-amino}-acetyl)-benzyl-amino]-acetyl}-(4-amino-butyl)-amino]-acetyl}-[2-(1H-indol-3-yl)-ethyl]-amino}-acetamide
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| Structure |
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| Formula |
C36H47N9O5
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| Molecular Weight |
685.83
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| Canonical SMILES |
CC(=O)N(CCc1cnc[nH]1)CC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O)Cc1ccccc1
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| InChI |
InChI=1S/C36H47N9O5/c1-27(46)42(18-14-30-20-39-26-41-30)23-36(50)45(21-28-9-3-2-4-10-28)25-35(49)43(16-8-7-15-37)24-34(48)44(22-33(38)47)17-13-29-19-40-32-12-6-5-11-31(29)32/h2-6,9-12,19-20,26,40H,7-8,13-18,21-25,37H2,1H3,(H2,38,47)(H,39,41)
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| InChIKey |
YYBOUVZNKIGKBH-UHFFFAOYSA-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