General Information of the Compound
| Compound ID |
CP0073849
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| Compound Name |
US8846658, 33
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| Structure |
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| Formula |
C17H16BrFN4O2
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| Molecular Weight |
407.243
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| Canonical SMILES |
NC1=N[C@@](CF)(COC1)c1cccc(NC(=O)c2ccc(Br)cn2)c1
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| InChI |
InChI=1S/C17H16BrFN4O2/c18-12-4-5-14(21-7-12)16(24)22-13-3-1-2-11(6-13)17(9-19)10-25-8-15(20)23-17/h1-7H,8-10H2,(H2,20,23)(H,22,24)/t17-/m0/s1
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| InChIKey |
GWTUALKYCOKUGL-KRWDZBQOSA-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