General Information of the Compound
| Compound ID |
CP0532584
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| Compound Name |
US8835470, 137
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| Structure |
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| Formula |
C26H19F3N6O3
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| Molecular Weight |
520.471
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| Canonical SMILES |
O[C@@H](C(=O)NCc1ccccn1)c1ccc(cc1)-c1noc(n1)-c1cnn(c1C(F)(F)F)-c1ccccc1
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| InChI |
InChI=1S/C26H19F3N6O3/c27-26(28,29)22-20(15-32-35(22)19-7-2-1-3-8-19)25-33-23(34-38-25)17-11-9-16(10-12-17)21(36)24(37)31-14-18-6-4-5-13-30-18/h1-13,15,21,36H,14H2,(H,31,37)/t21-/m1/s1
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| InChIKey |
WNFCVARTPPMPMH-OAQYLSRUSA-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