General Information of the Compound
| Compound ID |
CP0561356
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| Compound Name |
US9216968, 33
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| Structure |
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| Formula |
C27H23F3N4O3
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| Molecular Weight |
508.5
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| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1ccc2CCCc2c1
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| InChI |
InChI=1S/C27H23F3N4O3/c1-37-14-23-33-22-13-18(32-25(35)19-7-2-3-8-21(19)27(28,29)30)12-20(24(22)34-23)26(36)31-17-10-9-15-5-4-6-16(15)11-17/h2-3,7-13H,4-6,14H2,1H3,(H,31,36)(H,32,35)(H,33,34)
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| InChIKey |
MVKGPROPLBUBKQ-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