General Information of the Compound
| Compound ID |
CP0532583
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| Compound Name |
US8835470, 126
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| Structure |
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| Formula |
C24H16F3N5O5
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| Molecular Weight |
511.416
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| Canonical SMILES |
O[C@@H](C(=O)NCc1cnco1)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1
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| InChI |
InChI=1S/C24H16F3N5O5/c25-24(26,27)17-18(13-4-2-1-3-5-13)31-36-20(17)23-30-21(32-37-23)15-8-6-14(7-9-15)19(33)22(34)29-11-16-10-28-12-35-16/h1-10,12,19,33H,11H2,(H,29,34)/t19-/m1/s1
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| InChIKey |
SGYUYTMWRNCIFM-LJQANCHMSA-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