General Information of the Compound
| Compound ID |
CP0572962
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| Compound Name |
US8846658, 68
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| Structure |
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| Formula |
C19H17BrF4N4O2
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| Molecular Weight |
489.267
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| Canonical SMILES |
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F
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| InChI |
InChI=1S/C19H17BrF4N4O2/c1-17(9-30-18(2,16(25)28-17)19(22,23)24)12-7-11(4-5-13(12)21)27-15(29)14-6-3-10(20)8-26-14/h3-8H,9H2,1-2H3,(H2,25,28)(H,27,29)/t17-,18+/m0/s1
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| InChIKey |
XXUKTXRJOFQHLP-ZWKOTPCHSA-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