General Information of the Compound
| Compound ID |
CP0422740
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| Compound Name |
(1R)-1-[(4S)-1-[(1R)-1-[(2S)-2-[[(5R)-2-amino-5-(2-methylpropyl)-4,5-dihydroimidazol-1-yl]methyl]pyrrolidin-1-yl]-2-cyclohexylethyl]-2-imino-3-(4-methylpentyl)imidazolidin-4-yl]ethanol
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| Formula |
C31H59N7O
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| Molecular Weight |
545.861
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| Canonical SMILES |
CC(C)CCCN1[C@@H](CN([C@H](CC2CCCCC2)N2CCC[C@H]2CN2[C@H](CC(C)C)CNC2=N)C1=N)[C@@H](C)O
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| InChI |
InChI=1S/C31H59N7O/c1-22(2)11-9-16-36-28(24(5)39)21-38(31(36)33)29(18-25-12-7-6-8-13-25)35-15-10-14-26(35)20-37-27(17-23(3)4)19-34-30(37)32/h22-29,33,39H,6-21H2,1-5H3,(H2,32,34)/t24-,26+,27-,28+,29-/m1/s1
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| InChIKey |
RTAGHVKFHFPGNU-YJWDFKAOSA-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: PT01528, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor