General Information of the Compound
| Compound ID |
CP0447522
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| Compound Name |
4-(1-cyclopropyl-2,2,2-trifluoro-1-hydroxyethyl)-2,3-dimethylbenzonitrile
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| Structure |
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| Formula |
C14H14F3NO
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| Molecular Weight |
269.266
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| Canonical SMILES |
Cc1c(C)c(ccc1C#N)C(O)(C1CC1)C(F)(F)F
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| InChI |
InChI=1S/C14H14F3NO/c1-8-9(2)12(6-3-10(8)7-18)13(19,11-4-5-11)14(15,16)17/h3,6,11,19H,4-5H2,1-2H3
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| InChIKey |
UYXVVSWJILONOU-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