General Information of the Compound
| Compound ID |
CP0531185
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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-phenylethyl]pyrrolidin-2-yl]methyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
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| Formula |
C37H63N7
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| Molecular Weight |
605.96
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| Canonical SMILES |
CC(C)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/C37H63N7/c1-26(2)20-32-22-40-35(38)42(32)24-31-14-11-19-41(31)34(21-28-12-9-8-10-13-28)44-25-33(27(3)4)43(36(44)39)23-29-15-17-30(18-16-29)37(5,6)7/h8-10,12-13,26-27,29-34,39H,11,14-25H2,1-7H3,(H2,38,40)/t29?,30?,31-,32+,33-,34+/m0/s1
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| InChIKey |
SFDXDKLEDUMXIC-DGIOHOOTSA-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: PT01431, Melanocortin receptor 4
Protein ID: PT01528, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor