General Information of the Compound
| Compound ID |
CP0497821
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| Compound Name |
US10047103, 197
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| Structure |
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| Formula |
C24H22F2N4O4S2
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| Molecular Weight |
532.594
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| Canonical SMILES |
COc1cc(OCc2csc(n2)C2(F)CCOCC2)c2cc(oc2c1)-c1cn2nc(sc2n1)[C@H](C)F
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| InChI |
InChI=1S/C24H22F2N4O4S2/c1-13(25)21-29-30-10-17(28-23(30)36-21)20-9-16-18(7-15(31-2)8-19(16)34-20)33-11-14-12-35-22(27-14)24(26)3-5-32-6-4-24/h7-10,12-13H,3-6,11H2,1-2H3/t13-/m0/s1
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| InChIKey |
HEOJXPITAQPTRK-ZDUSSCGKSA-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