General Information of the Compound
| Compound ID |
CP0961372
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| Compound Name |
US9187424, 213
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| Structure |
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| Formula |
C24H22F5N5O2
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| Molecular Weight |
507.463
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| Canonical SMILES |
Cc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)F)C2)cc1
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| InChI |
InChI=1S/C24H22F5N5O2/c1-14-3-5-15(6-4-14)18-13-23(22(25)26,30-21(35)19(18)20-31-33-34-32-20)16-7-9-17(10-8-16)36-12-2-11-24(27,28)29/h3-10,22H,2,11-13H2,1H3,(H,30,35)(H,31,32,33,34)
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| InChIKey |
CCKRCGQXISZLOY-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