General Information of the Compound
| Compound ID |
CP0422742
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| Compound Name |
(5R)-1-[[(2S)-1-[(1R)-1-[(4R)-3-(1-adamantylmethyl)-2-imino-4-propan-2-ylimidazolidin-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 |
CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H](C(C)C)N(CC23CC4CC(CC(C4)C2)C3)C1=N
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| InChI |
InChI=1S/C36H63N7/c1-24(2)31-20-39-34(37)41(31)21-30-11-8-12-40(30)33(16-26-9-6-5-7-10-26)42-22-32(25(3)4)43(35(42)38)23-36-17-27-13-28(18-36)15-29(14-27)19-36/h24-33,38H,5-23H2,1-4H3,(H2,37,39)/t27?,28?,29?,30-,31-,32-,33+,36?/m0/s1
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| InChIKey |
ACHNGGZJHZFEDD-OZKQTGAYSA-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