General Information of the Compound
| Compound ID |
CP0495348
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| Compound Name |
US9434711, 517
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| Structure |
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| Formula |
C23H16F3NO4S2
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| Molecular Weight |
491.512
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1cc(F)c(F)c(F)c1)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C23H16F3NO4S2/c1-13-17-4-2-3-5-20(17)32-22(13)27(12-14-10-18(24)21(26)19(25)11-14)33(30,31)16-8-6-15(7-9-16)23(28)29/h2-11H,12H2,1H3,(H,28,29)
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| InChIKey |
CZCVBLIZZXOQRP-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