General Information of the Compound
| Compound ID |
CP0416630
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| Compound Name |
US9458171, 393
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| Formula |
C30H31F8NO5S
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| Molecular Weight |
669.631
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| Canonical SMILES |
CCC[C@@]1(CC[C@@H](CC1)C(O)=O)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C30H31F8NO5S/c1-2-13-26(14-11-19(12-15-26)24(40)41)25(42)39-17-16-27(18-39,45(43,44)23-9-7-22(31)8-10-23)20-3-5-21(6-4-20)28(32,29(33,34)35)30(36,37)38/h3-10,19H,2,11-18H2,1H3,(H,40,41)/t19-,26-,27-/m0/s1
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| InChIKey |
SJFLTEYVNDWHPL-DOYMOWJKSA-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: PT03033, Nuclear receptor ROR-beta
Protein ID: PT02663, Nuclear receptor ROR-gamma
Protein ID: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta