General Information of the Compound
| Compound ID |
CP0048619
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| Compound Name |
2-{(S)-2-[(S)-2-Amino-3-(3H-imidazol-4-yl)-propionylamino]-1-oxo-3-phenyl-propylamino}-5-guanidino-pentanoic acid [(S)-1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide
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| Structure |
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| Formula |
C32H41N11O4
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| Molecular Weight |
643.753
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| Canonical SMILES |
N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C32H41N11O4/c33-23(15-21-17-37-18-40-21)29(45)43-27(13-19-7-2-1-3-8-19)31(47)41-25(11-6-12-38-32(35)36)30(46)42-26(28(34)44)14-20-16-39-24-10-5-4-9-22(20)24/h1-5,7-10,16-18,23,25-27,39H,6,11-15,33H2,(H2,34,44)(H,37,40)(H,41,47)(H,42,46)(H,43,45)(H4,35,36,38)/t23-,25-,26-,27-/m0/s1
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| InChIKey |
OVIZBCMXCJAPHP-MNUOIFNESA-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