General Information of the Compound
| Compound ID |
CP0490263
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| Compound Name |
US8629282, 5
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| Structure |
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| Formula |
C24H19F3N4O6
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| Molecular Weight |
516.432
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| Canonical SMILES |
O[C@H]1[C@@H](COc2cc(ccc12)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1)NCCC(O)=O
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| InChI |
InChI=1S/C24H19F3N4O6/c25-24(26,27)18-19(12-4-2-1-3-5-12)30-36-21(18)23-29-22(31-37-23)13-6-7-14-16(10-13)35-11-15(20(14)34)28-9-8-17(32)33/h1-7,10,15,20,28,34H,8-9,11H2,(H,32,33)/t15-,20-/m1/s1
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| InChIKey |
OMRKFJKDIIGSGA-FOIQADDNSA-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