General Information of the Compound
| Compound ID |
CP0527437
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| Compound Name |
US9862730, Example 283
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| Structure |
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| Formula |
C14H10BrN3O2S2
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| Molecular Weight |
396.291
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| Canonical SMILES |
COc1cc(Br)c2oc(cc2c1)-c1cn2nc(SC)sc2n1
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| InChI |
InChI=1S/C14H10BrN3O2S2/c1-19-8-3-7-4-11(20-12(7)9(15)5-8)10-6-18-13(16-10)22-14(17-18)21-2/h3-6H,1-2H3
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| InChIKey |
RLQFPFUSFYLZJK-UHFFFAOYSA-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