General Information of the Compound
| Compound ID |
CP0521517
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| Compound Name |
US9216968, 30
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| Structure |
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| Formula |
C25H20ClF3N4O3
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| Molecular Weight |
516.907
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| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1ccc(C)cc1Cl
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| InChI |
InChI=1S/C25H20ClF3N4O3/c1-13-7-8-19(18(26)9-13)32-24(35)16-10-14(11-20-22(16)33-21(31-20)12-36-2)30-23(34)15-5-3-4-6-17(15)25(27,28)29/h3-11H,12H2,1-2H3,(H,30,34)(H,31,33)(H,32,35)
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| InChIKey |
FJOZBURWEOBJKU-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