General Information of the Compound
| Compound ID |
CP0182921
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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]cyclopropanecarboxamide
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| Structure |
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| Formula |
C36H45N11O5
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| Molecular Weight |
711.828
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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)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C36H45N11O5/c37-31(48)28(16-23-18-42-26-10-5-4-9-25(23)26)45-33(50)27(11-6-14-41-36(38)39)44-34(51)29(15-21-7-2-1-3-8-21)47-35(52)30(17-24-19-40-20-43-24)46-32(49)22-12-13-22/h1-5,7-10,18-20,22,27-30,42H,6,11-17H2,(H2,37,48)(H,40,43)(H,44,51)(H,45,50)(H,46,49)(H,47,52)(H4,38,39,41)/t27-,28-,29-,30-/m0/s1
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| InChIKey |
PEOUPURBSIPXLE-KRCBVYEFSA-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