General Information of the Compound
| Compound ID |
CP0381774
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| Compound Name |
N-[(2S)-1-[(3S,8aS)-3-benzyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-(1H-indol-3-yl)propanamide
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| Structure |
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| Formula |
C31H41N7O2
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| Molecular Weight |
543.716
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| Canonical SMILES |
NC(N)=NCCC[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1
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| InChI |
InChI=1S/C31H41N7O2/c32-31(33)34-16-6-13-28(36-29(39)15-14-23-19-35-27-12-5-4-11-26(23)27)30(40)38-21-24-10-7-17-37(24)20-25(38)18-22-8-2-1-3-9-22/h1-5,8-9,11-12,19,24-25,28,35H,6-7,10,13-18,20-21H2,(H,36,39)(H4,32,33,34)/t24-,25-,28-/m0/s1
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| InChIKey |
QJJUWWQDEUFNRO-VBOOUTDYSA-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: PT01804, Melanocortin receptor 5
Protein ID: PT00911, Melanocyte-stimulating hormone receptor