General Information of the Compound
| Compound ID |
CP0539388
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| Compound Name |
US10047103, 135
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| Structure |
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| Formula |
C24H22F2N4O5S2
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| Molecular Weight |
548.593
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(O)CCC(F)(F)CC3)cc(OC)cc2o1
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| InChI |
InChI=1S/C24H22F2N4O5S2/c1-32-14-7-17(34-11-13-12-36-20(27-13)23(31)3-5-24(25,26)6-4-23)15-9-19(35-18(15)8-14)16-10-30-21(28-16)37-22(29-30)33-2/h7-10,12,31H,3-6,11H2,1-2H3
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| InChIKey |
UNPWYADZEWBXFU-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