General Information of the Compound
| Compound ID |
CP0539397
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| Compound Name |
US10047103, 58
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| Structure |
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| Formula |
C21H17F3N4O4S2
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| Molecular Weight |
510.519
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(CCC(F)(F)F)n3)cc(OC)cc2o1
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| InChI |
InChI=1S/C21H17F3N4O4S2/c1-29-12-5-15(31-9-11-10-33-18(25-11)3-4-21(22,23)24)13-7-17(32-16(13)6-12)14-8-28-19(26-14)34-20(27-28)30-2/h5-8,10H,3-4,9H2,1-2H3
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| InChIKey |
OXQIVFNCLWSTQC-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