General Information of the Compound
| Compound ID |
CP0564394
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| Compound Name |
US9120756, 126
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| Structure |
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| Formula |
C21H17ClF4N4O
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| Molecular Weight |
452.839
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| Canonical SMILES |
Fc1cc(NC(=O)NCc2cc(nn2-c2cccc(Cl)c2)C(F)(F)F)ccc1C1CC1
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| InChI |
InChI=1S/C21H17ClF4N4O/c22-13-2-1-3-15(8-13)30-16(10-19(29-30)21(24,25)26)11-27-20(31)28-14-6-7-17(12-4-5-12)18(23)9-14/h1-3,6-10,12H,4-5,11H2,(H2,27,28,31)
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| InChIKey |
KPCZXNHTLREUJC-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