General Information of the Compound
| Compound ID |
CP0536809
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| Compound Name |
US9216968, 91
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| Structure |
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| Formula |
C26H22ClF3N4O3
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| Molecular Weight |
530.934
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| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2n1C)C(=O)NCc1ccccc1Cl
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| InChI |
InChI=1S/C26H22ClF3N4O3/c1-34-21-12-16(32-25(36)17-8-4-5-9-19(17)26(28,29)30)11-18(23(21)33-22(34)14-37-2)24(35)31-13-15-7-3-6-10-20(15)27/h3-12H,13-14H2,1-2H3,(H,31,35)(H,32,36)
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| InChIKey |
NCCWPFAYOGWJIT-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