General Information of the Compound
| Compound ID |
CP0246618
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| Compound Name |
US8846658, 78
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| Structure |
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| Formula |
C18H16BrF3N4O2
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| Molecular Weight |
457.25
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| Canonical SMILES |
C[C@@H]1OC[C@@](N=C1N)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F
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| InChI |
InChI=1S/C18H16BrF3N4O2/c1-9-15(23)26-18(8-28-9,17(21)22)12-6-11(3-4-13(12)20)25-16(27)14-5-2-10(19)7-24-14/h2-7,9,17H,8H2,1H3,(H2,23,26)(H,25,27)/t9-,18-/m0/s1
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| InChIKey |
SJRMJSRRAFSJFY-YYSFKGJASA-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