General Information of the Compound
| Compound ID |
CP0190200
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| Compound Name |
(S)-5-Guanidino-2-{(S)-2-[(S)-2-(2-hydroxy-acetylamino)-3-(3H-imidazol-4-yl)-propionylamino]-3-phenyl-propionylamino}-pentanoic acid [(S)-1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide
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| Structure |
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| Formula |
C34H43N11O6
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| Molecular Weight |
701.789
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| Canonical SMILES |
NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C34H43N11O6/c35-30(48)26(14-21-16-40-24-10-5-4-9-23(21)24)44-31(49)25(11-6-12-39-34(36)37)43-32(50)27(13-20-7-2-1-3-8-20)45-33(51)28(42-29(47)18-46)15-22-17-38-19-41-22/h1-5,7-10,16-17,19,25-28,40,46H,6,11-15,18H2,(H2,35,48)(H,38,41)(H,42,47)(H,43,50)(H,44,49)(H,45,51)(H4,36,37,39)/t25-,26-,27-,28-/m0/s1
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| InChIKey |
NTLXAVKHHNPHLL-LJWNLINESA-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