General Information of the Compound
| Compound ID |
CP0414218
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| Compound Name |
US9187424, 130
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| Structure |
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| Formula |
C26H21F6N3O4
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| Molecular Weight |
553.459
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(C(=O)Nc2ccno2)C(=O)NC(C1)(c1ccc(OCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H21F6N3O4/c1-15-2-4-16(5-3-15)19-14-24(26(30,31)32,17-6-8-18(9-7-17)38-13-11-25(27,28)29)35-23(37)21(19)22(36)34-20-10-12-33-39-20/h2-10,12H,11,13-14H2,1H3,(H,34,36)(H,35,37)
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| InChIKey |
VVXCXLQTHCATJJ-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