General Information of the Compound
| Compound ID |
CP0533809
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| Compound Name |
(5R)-1-[[(2S)-1-[(1R)-1-[(4R)-3-[(4-tert-butylcyclohexyl)methyl]-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 |
C36H67N7
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| Molecular Weight |
597.981
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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(CC2CCC(CC2)C(C)(C)C)C1=N
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| InChI |
InChI=1S/C36H67N7/c1-25(2)31-21-39-34(37)41(31)23-30-14-11-19-40(30)33(20-27-12-9-8-10-13-27)43-24-32(26(3)4)42(35(43)38)22-28-15-17-29(18-16-28)36(5,6)7/h25-33,38H,8-24H2,1-7H3,(H2,37,39)/t28?,29?,30-,31-,32-,33+/m0/s1
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| InChIKey |
CVIQKRAIZKFYNO-QLXARGDVSA-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