General Information of the Compound
| Compound ID |
CP0546561
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| Compound Name |
US10047103, 192
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| Structure |
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| Formula |
C25H19FN4O3S2
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| Molecular Weight |
506.584
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| Canonical SMILES |
COc1cc(OCc2csc(n2)-c2ccccc2)c2cc(oc2c1)-c1cn2nc(sc2n1)[C@H](C)F
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| InChI |
InChI=1S/C25H19FN4O3S2/c1-14(26)23-29-30-11-19(28-25(30)35-23)22-10-18-20(8-17(31-2)9-21(18)33-22)32-12-16-13-34-24(27-16)15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3/t14-/m0/s1
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| InChIKey |
ZJDGGFCBBONCDM-AWEZNQCLSA-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