General Information of the Compound
| Compound ID |
CP0304253
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| Compound Name |
2-methylpropyl N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylcarbamate
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| Structure |
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| Formula |
C15H17F6NO3
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| Molecular Weight |
373.293
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| Canonical SMILES |
CC(C)COC(=O)N(C)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C15H17F6NO3/c1-9(2)8-25-12(23)22(3)11-6-4-10(5-7-11)13(24,14(16,17)18)15(19,20)21/h4-7,9,24H,8H2,1-3H3
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| InChIKey |
BLPZFTZQFOPPGU-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01555, Oxysterols receptor LXR-alpha