General Information of the Compound
| Compound ID |
CP0477697
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| Compound Name |
(4R)-4-tert-butyl-3-(2-phenylethyl)-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 |
C25H40N4S
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| Molecular Weight |
428.69
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| Canonical SMILES |
CCCC1=N[C@@H](CCCCN2C[C@H](N(CCc3ccccc3)C2=S)C(C)(C)C)CN1
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| InChI |
InChI=1S/C25H40N4S/c1-5-11-23-26-18-21(27-23)14-9-10-16-28-19-22(25(2,3)4)29(24(28)30)17-15-20-12-7-6-8-13-20/h6-8,12-13,21-22H,5,9-11,14-19H2,1-4H3,(H,26,27)/t21-,22-/m0/s1
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| InChIKey |
XYXDZATWEZKNKQ-VXKWHMMOSA-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