General Information of the Compound
| Compound ID |
CP0257564
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| Compound Name |
N'-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]oxamide
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| Structure |
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| Formula |
C34H42N12O6
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| Molecular Weight |
714.788
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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)C(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C34H42N12O6/c35-28(47)25(14-20-16-41-23-10-5-4-9-22(20)23)44-30(49)24(11-6-12-40-34(37)38)43-31(50)26(13-19-7-2-1-3-8-19)45-32(51)27(46-33(52)29(36)48)15-21-17-39-18-42-21/h1-5,7-10,16-18,24-27,41H,6,11-15H2,(H2,35,47)(H2,36,48)(H,39,42)(H,43,50)(H,44,49)(H,45,51)(H,46,52)(H4,37,38,40)/t24-,25-,26-,27-/m0/s1
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| InChIKey |
CZLALGVBUDRCJM-FWEHEUNISA-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