General Information of the Compound
| Compound ID |
CP0557319
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| Compound Name |
US8889668, I34
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| Structure |
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| Formula |
C22H19F6N3O2
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| Molecular Weight |
471.401
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| Canonical SMILES |
CC1CCCCN1c1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccccc1OC(F)(F)F
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| InChI |
InChI=1S/C22H19F6N3O2/c1-13-6-4-5-11-31(13)17-10-9-14(12-16(17)21(23,24)25)20-29-19(30-33-20)15-7-2-3-8-18(15)32-22(26,27)28/h2-3,7-10,12-13H,4-6,11H2,1H3
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| InChIKey |
YSXSWDDSFWGRMT-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