General Information of the Compound
| Compound ID |
CP0418256
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| Compound Name |
US9216968, 233
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| Structure |
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| Formula |
C25H17ClF3N5O4
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| Molecular Weight |
543.889
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| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1nc2ccc(Cl)cc2o1
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| InChI |
InChI=1S/C25H17ClF3N5O4/c1-37-11-20-31-18-10-13(30-22(35)14-4-2-3-5-16(14)25(27,28)29)9-15(21(18)33-20)23(36)34-24-32-17-7-6-12(26)8-19(17)38-24/h2-10H,11H2,1H3,(H,30,35)(H,31,33)(H,32,34,36)
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| InChIKey |
YJYWMGOAXGGFPK-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