General Information of the Compound
| Compound ID |
CP0962350
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| Compound Name |
US9187424, 212
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| Structure |
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| Formula |
C27H25F6N5O3
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| Molecular Weight |
581.517
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| Canonical SMILES |
COc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)c2c1CCC2
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| InChI |
InChI=1S/C27H25F6N5O3/c1-40-21-11-10-18(17-4-2-5-19(17)21)20-14-25(27(31,32)33,34-24(39)22(20)23-35-37-38-36-23)15-6-8-16(9-7-15)41-13-3-12-26(28,29)30/h6-11H,2-5,12-14H2,1H3,(H,34,39)(H,35,36,37,38)
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| InChIKey |
YJQKNFZKAOUFAD-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