General Information of the Compound
| Compound ID |
CP0418597
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| Compound Name |
(5R)-1-[[(2S)-1-[(1R)-1-[(4R)-3-(1-adamantylmethyl)-2-imino-4-propylimidazolidin-1-yl]-2-cyclohexylethyl]pyrrolidin-2-yl]methyl]-5-propan-2-yl-4,5-dihydroimidazol-2-amine
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| Formula |
C36H63N7
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| Molecular Weight |
593.949
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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)N1CC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C36H63N7/c1-4-9-30-23-42(35(38)43(30)24-36-18-27-14-28(19-36)16-29(15-27)20-36)33(17-26-10-6-5-7-11-26)40-13-8-12-31(40)22-41-32(25(2)3)21-39-34(41)37/h25-33,38H,4-24H2,1-3H3,(H2,37,39)/t27?,28?,29?,30-,31+,32+,33-,36?/m1/s1
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| InChIKey |
HJAFXSPXDBZARE-GGJGGFGGSA-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