General Information of the Compound
| Compound ID |
CP0560215
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| Compound Name |
US9458171, 318
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| Formula |
C35H31F10NO7S
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| Molecular Weight |
799.68
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| Canonical SMILES |
OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(OCc1ccccc1OC(F)(F)F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C35H31F10NO7S/c36-26-13-15-27(16-14-26)54(50,51)31(17-18-46(20-31)29(47)21-5-7-22(8-6-21)30(48)49)24-9-11-25(12-10-24)32(33(37,38)39,34(40,41)42)52-19-23-3-1-2-4-28(23)53-35(43,44)45/h1-4,9-16,21-22H,5-8,17-20H2,(H,48,49)/t21-,22-,31-/m0/s1
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| InChIKey |
UMCJFIFJTCQCOR-CYYCZYJVSA-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: PT01552, Nuclear receptor subfamily 1 group I member 2