General Information of the Compound
| Compound ID |
CP0518965
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| Compound Name |
US9199981, F171
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| Structure |
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| Formula |
C24H21F2N5O4
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| Molecular Weight |
481.459
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccc(CCC(O)=O)cn12)-c1noc(n1)C1CC(F)(F)C1
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| InChI |
InChI=1S/C24H21F2N5O4/c1-13-2-5-15(21-29-23(35-30-21)16-9-24(25,26)10-16)8-17(13)28-22(34)18-11-27-19-6-3-14(12-31(18)19)4-7-20(32)33/h2-3,5-6,8,11-12,16H,4,7,9-10H2,1H3,(H,28,34)(H,32,33)
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| InChIKey |
PMEIZRTWPXMYNR-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