General Information of the Compound
| Compound ID |
CP0519007
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| Compound Name |
US9216968, 229
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| Structure |
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| Formula |
C31H25F3N4O3
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| Molecular Weight |
558.56
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| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1ccccc1Cc1ccccc1
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| InChI |
InChI=1S/C31H25F3N4O3/c1-41-18-27-36-26-17-21(35-29(39)22-12-6-7-13-24(22)31(32,33)34)16-23(28(26)38-27)30(40)37-25-14-8-5-11-20(25)15-19-9-3-2-4-10-19/h2-14,16-17H,15,18H2,1H3,(H,35,39)(H,36,38)(H,37,40)
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| InChIKey |
JXQAFDFINDUDQE-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