General Information of the Compound
| Compound ID |
CP0531708
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| Compound Name |
US9434711, 507
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| Structure |
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| Formula |
C18H17F3N2O4S3
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| Molecular Weight |
478.539
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc(cc1)S(=O)(=O)N(CCC(F)(F)F)c1cc2ccccc2s1
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| InChI |
InChI=1S/C18H17F3N2O4S3/c1-29(24,25)22-14-6-8-15(9-7-14)30(26,27)23(11-10-18(19,20)21)17-12-13-4-2-3-5-16(13)28-17/h2-9,12,22H,10-11H2,1H3
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| InChIKey |
PBVVJRRJSDJBIQ-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