General Information of the Compound
| Compound ID |
CP0576602
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| Compound Name |
US8846658, 71
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| Structure |
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| Formula |
C18H16BrF4N5O2
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| Molecular Weight |
490.255
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| Canonical SMILES |
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(Br)cn2)ccc1F
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| InChI |
InChI=1S/C18H16BrF4N5O2/c1-16(8-30-17(2,15(24)28-16)18(21,22)23)11-5-10(3-4-12(11)20)27-14(29)13-25-6-9(19)7-26-13/h3-7H,8H2,1-2H3,(H2,24,28)(H,27,29)/t16-,17+/m0/s1
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| InChIKey |
MONBOQDZSLNZSN-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