General Information of the Compound
| Compound ID |
CP0523912
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| Compound Name |
US9012651, 8
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| Structure |
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| Formula |
C18H21F3N2O
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| Molecular Weight |
338.373
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| Canonical SMILES |
CC(C)(CO)CNCc1cccc(n1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C18H21F3N2O/c1-17(2,12-24)11-22-10-15-4-3-5-16(23-15)13-6-8-14(9-7-13)18(19,20)21/h3-9,22,24H,10-12H2,1-2H3
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| InChIKey |
VOWCSLFEVWUIEZ-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