General Information of the Compound
| Compound ID |
CP0408213
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| Compound Name |
US9518064, Example 68
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| Structure |
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| Formula |
C27H19F3N4O3S
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| Molecular Weight |
536.535
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| Canonical SMILES |
COc1cc(OCc2cccc(c2)-c2ccc(F)nc2)c2cc(oc2c1)-c1cn2nc(sc2n1)C(C)(F)F
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| InChI |
InChI=1S/C27H19F3N4O3S/c1-27(29,30)25-33-34-13-20(32-26(34)38-25)23-11-19-21(9-18(35-2)10-22(19)37-23)36-14-15-4-3-5-16(8-15)17-6-7-24(28)31-12-17/h3-13H,14H2,1-2H3
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| InChIKey |
XKZVHHYEBUFCJG-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