General Information of the Compound
| Compound ID |
CP0140354
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| Compound Name |
US8575364, 47
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| Structure |
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| Formula |
C18H18F3NO
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| Molecular Weight |
321.342
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| Canonical SMILES |
COc1ccc(cc1C1CCNC1)-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C18H18F3NO/c1-23-17-7-6-12(10-15(17)13-8-9-22-11-13)14-4-2-3-5-16(14)18(19,20)21/h2-7,10,13,22H,8-9,11H2,1H3
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| InChIKey |
XZFYPPFRJAWGAS-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