General Information of the Compound
| Compound ID |
CP0548281
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| Compound Name |
(5R)-1-[[(2S)-1-[(1R)-1-[(4R)-2-imino-3-(4-methylpentyl)-4-propylimidazolidin-1-yl]-2-phenylethyl]pyrrolidin-2-yl]methyl]-5-propan-2-yl-4,5-dihydroimidazol-2-amine
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| Formula |
C31H53N7
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| Molecular Weight |
523.814
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| Canonical SMILES |
CCC[C@@H]1CN([C@H](Cc2ccccc2)N2CCC[C@H]2CN2[C@@H](CNC2=N)C(C)C)C(=N)N1CCCC(C)C
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| InChI |
InChI=1S/C31H53N7/c1-6-12-26-22-38(31(33)36(26)18-10-13-23(2)3)29(19-25-14-8-7-9-15-25)35-17-11-16-27(35)21-37-28(24(4)5)20-34-30(37)32/h7-9,14-15,23-24,26-29,33H,6,10-13,16-22H2,1-5H3,(H2,32,34)/t26-,27+,28+,29-/m1/s1
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| InChIKey |
GUFZIAOEZHMXKI-GIFPIDKJSA-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: PT02450, Melanocortin receptor 3
Protein ID: PT01528, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor