General Information of the Compound
| Compound ID |
CP0495369
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| Compound Name |
US9434711, 770
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| Structure |
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| Formula |
C20H18F3NO3S2
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| Molecular Weight |
441.496
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1cccc(OC(F)(F)F)c1)S(=O)(=O)C1CC1
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| InChI |
InChI=1S/C20H18F3NO3S2/c1-13-17-7-2-3-8-18(17)28-19(13)24(29(25,26)16-9-10-16)12-14-5-4-6-15(11-14)27-20(21,22)23/h2-8,11,16H,9-10,12H2,1H3
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| InChIKey |
MQTDIWLXYDAHEM-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