General Information of the Compound
| Compound ID |
CP0575818
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| Compound Name |
US10047103, 114
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| Structure |
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| Formula |
C24H22F3N5O6S3
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| Molecular Weight |
629.664
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3CCN(CC3)S(=O)(=O)C(F)(F)F)cc(OC)cc2o1
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| InChI |
InChI=1S/C24H22F3N5O6S3/c1-35-15-7-18(16-9-20(38-19(16)8-15)17-10-32-22(29-17)40-23(30-32)36-2)37-11-14-12-39-21(28-14)13-3-5-31(6-4-13)41(33,34)24(25,26)27/h7-10,12-13H,3-6,11H2,1-2H3
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| InChIKey |
BDZNBNNJQRTJAR-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