General Information of the Compound
| Compound ID |
CP0525608
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| Compound Name |
US9162979, 12
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| Structure |
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| Formula |
C24H25FN2O7S
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| Molecular Weight |
504.536
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| Canonical SMILES |
Cc1c(CC(=O)OCCCCON(=O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1
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| InChI |
InChI=1S/C24H25FN2O7S/c1-17-19(15-24(28)33-12-3-4-13-34-27(29)30)14-23(26(17)21-7-5-6-20(25)16-21)18-8-10-22(11-9-18)35(2,31)32/h5-11,14,16H,3-4,12-13,15H2,1-2H3
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| InChIKey |
HZAHJVLKUXBDIY-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