General Information of the Compound
| Compound ID |
CP0393579
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| Compound Name |
(4S)-4-benzyl-3-[(4-methylcyclohexyl)methyl]-1-[4-[(5S)-2-propyl-4,5-dihydro-1H-imidazol-5-yl]butyl]imidazolidine-2-thione
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| Structure |
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| Formula |
C28H44N4S
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| Molecular Weight |
468.755
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| Canonical SMILES |
CCCC1=N[C@@H](CCCCN2C[C@H](Cc3ccccc3)N(CC3CCC(C)CC3)C2=S)CN1
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| InChI |
InChI=1S/C28H44N4S/c1-3-9-27-29-19-25(30-27)12-7-8-17-31-21-26(18-23-10-5-4-6-11-23)32(28(31)33)20-24-15-13-22(2)14-16-24/h4-6,10-11,22,24-26H,3,7-9,12-21H2,1-2H3,(H,29,30)/t22?,24?,25-,26-/m0/s1
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| InChIKey |
VXFUTSSNPDEHHM-SDAFTYILSA-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: PT02658, Nuclear receptor ROR-alpha
Protein ID: PT06515, Nuclear receptor ROR-beta
Protein ID: PT05439, Nuclear receptor ROR-gamma