General Information of the Compound
| Compound ID |
CP0571332
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| Compound Name |
US10035794, Example 26
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| Structure |
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| Formula |
C19H18F7N7O3
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| Molecular Weight |
525.385
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| Canonical SMILES |
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OCC(F)(F)F)nc2N)ccc1F
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| InChI |
InChI=1S/C19H18F7N7O3/c1-16(6-36-17(2,15(28)33-16)19(24,25)26)12-8(20)3-4-9(30-12)31-14(34)11-13(27)32-10(5-29-11)35-7-18(21,22)23/h3-5H,6-7H2,1-2H3,(H2,27,32)(H2,28,33)(H,30,31,34)/t16-,17+/m0/s1
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| InChIKey |
FKENLPZVPNVYQW-DLBZAZTESA-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