General Information of the Compound
| Compound ID |
CP0478004
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| Compound Name |
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5H-phenanthridin-6-one
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| Structure |
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| Formula |
C16H9F6NO2
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| Molecular Weight |
361.241
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| Canonical SMILES |
OC(c1ccc2[nH]c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C16H9F6NO2/c17-15(18,19)14(25,16(20,21)22)8-5-6-12-11(7-8)9-3-1-2-4-10(9)13(24)23-12/h1-7,25H,(H,23,24)
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| InChIKey |
NKLTUBXOEGMKJS-UHFFFAOYSA-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: PT01172, Progesterone receptor