General Information of the Compound
| Compound ID |
CP0485006
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| Compound Name |
US9598415, 61
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| Structure |
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| Formula |
C25H25F3N8O4S
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| Molecular Weight |
590.588
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n([C@@H](C)C(F)(F)F)c2=O)-c2c(OC)ncnc2C2CC2)nc1
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| InChI |
InChI=1S/C25H25F3N8O4S/c1-4-41(38,39)16-8-7-15(29-10-16)9-30-21-24(37)36(13(2)25(26,27)28)22-17(34-21)11-31-20(35-22)18-19(14-5-6-14)32-12-33-23(18)40-3/h7-8,10-14H,4-6,9H2,1-3H3,(H,30,34)/t13-/m0/s1
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| InChIKey |
ZGCBUHCNTNDCGG-ZDUSSCGKSA-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: PT02663, Nuclear receptor ROR-gamma
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2