General Information of the Compound
| Compound ID |
CP0380497
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| Compound Name |
US10047103, 31
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| Structure |
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| Formula |
C23H21F2N5O4S2
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| Molecular Weight |
533.582
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)N3CCC(F)(F)CC3)cc(OC)cc2o1
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| InChI |
InChI=1S/C23H21F2N5O4S2/c1-31-14-7-17(33-11-13-12-35-20(26-13)29-5-3-23(24,25)4-6-29)15-9-19(34-18(15)8-14)16-10-30-21(27-16)36-22(28-30)32-2/h7-10,12H,3-6,11H2,1-2H3
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| InChIKey |
BFKVISSTOUFCBU-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