General Information of the Compound
| Compound ID |
CP0538172
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| Compound Name |
US9034574, XVIII
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| Structure |
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| Formula |
C15H12BrN3O2S
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| Molecular Weight |
378.251
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| Canonical SMILES |
COc1cc(O)cc(Br)c1\C=N\Nc1nc2ccccc2s1
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| InChI |
InChI=1S/C15H12BrN3O2S/c1-21-13-7-9(20)6-11(16)10(13)8-17-19-15-18-12-4-2-3-5-14(12)22-15/h2-8,20H,1H3,(H,18,19)/b17-8+
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| InChIKey |
CAYPYIUGJJUJJP-CAOOACKPSA-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