General Information of the Compound
| Compound ID |
CP0422739
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| Compound Name |
(5R)-1-[[(2S)-1-[(1R)-1-[(4R)-3-[(4-tert-butylcyclohexyl)methyl]-2-imino-4-propylimidazolidin-1-yl]-2-phenylethyl]pyrrolidin-2-yl]methyl]-5-propan-2-yl-4,5-dihydroimidazol-2-amine
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| Formula |
C36H61N7
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| Molecular Weight |
591.933
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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)N1CC1CCC(CC1)C(C)(C)C
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| InChI |
InChI=1S/C36H61N7/c1-7-12-30-25-43(35(38)41(30)23-28-16-18-29(19-17-28)36(4,5)6)33(21-27-13-9-8-10-14-27)40-20-11-15-31(40)24-42-32(26(2)3)22-39-34(42)37/h8-10,13-14,26,28-33,38H,7,11-12,15-25H2,1-6H3,(H2,37,39)/t28?,29?,30-,31+,32+,33-/m1/s1
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| InChIKey |
VFKXBIJYBYNECQ-BFZVMRKTSA-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