General Information of the Compound
| Compound ID |
CP0578169
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| Compound Name |
US9187424, 10
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| Structure |
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| Formula |
C26H20F9N3O3
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| Molecular Weight |
593.446
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(c2nnc(o2)C(F)(F)F)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H20F9N3O3/c1-14-3-5-15(6-4-14)18-13-23(26(33,34)35,16-7-9-17(10-8-16)40-12-2-11-24(27,28)29)36-20(39)19(18)21-37-38-22(41-21)25(30,31)32/h3-10H,2,11-13H2,1H3,(H,36,39)
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| InChIKey |
CDGXTJIQOFQZAW-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