General Information of the Compound
| Compound ID |
CP0184237
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| Compound Name |
(S)-5-Guanidino-2-{(S)-2-[(S)-3-(3H-imidazol-4-yl)-2-methanesulfonylamino-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 |
C33H43N11O6S
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| Molecular Weight |
721.845
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| Canonical SMILES |
CS(=O)(=O)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/C33H43N11O6S/c1-51(49,50)44-28(16-22-18-37-19-40-22)32(48)43-27(14-20-8-3-2-4-9-20)31(47)41-25(12-7-13-38-33(35)36)30(46)42-26(29(34)45)15-21-17-39-24-11-6-5-10-23(21)24/h2-6,8-11,17-19,25-28,39,44H,7,12-16H2,1H3,(H2,34,45)(H,37,40)(H,41,47)(H,42,46)(H,43,48)(H4,35,36,38)/t25-,26-,27-,28-/m0/s1
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| InChIKey |
IGSPGKUFVFMXQE-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