General Information of the Compound
| Compound ID |
CP0442535
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| Compound Name |
US9216968, 44
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| Structure |
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| Formula |
C25H19ClF3N5O3
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| Molecular Weight |
529.906
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| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(CC(N)=O)nc12
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| InChI |
InChI=1S/C25H19ClF3N5O3/c1-12-17(26)7-4-8-18(12)33-24(37)15-9-13(10-19-22(15)34-21(32-19)11-20(30)35)31-23(36)14-5-2-3-6-16(14)25(27,28)29/h2-10H,11H2,1H3,(H2,30,35)(H,31,36)(H,32,34)(H,33,37)
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| InChIKey |
WAJRZMIHIDOWAW-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