General Information of the Compound
| Compound ID |
CP0449953
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| Compound Name |
US9216968, 46
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| Structure |
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| Formula |
C24H18ClF3N4O2
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| Molecular Weight |
486.881
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| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2n(C)cnc12
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| InChI |
InChI=1S/C24H18ClF3N4O2/c1-13-18(25)8-5-9-19(13)31-23(34)16-10-14(11-20-21(16)29-12-32(20)2)30-22(33)15-6-3-4-7-17(15)24(26,27)28/h3-12H,1-2H3,(H,30,33)(H,31,34)
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| InChIKey |
WAAZIOTZPUBZFP-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