General Information of the Compound
| Compound ID |
CP0564454
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| Compound Name |
US9434711, 814
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| Structure |
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| Formula |
C22H13ClF4N2O4S2
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| Molecular Weight |
544.935
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| Canonical SMILES |
OC(=O)c1cccc(c1)S(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ncccc2c1Cl
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| InChI |
InChI=1S/C22H13ClF4N2O4S2/c23-18-15-5-2-8-28-19(15)34-20(18)29(11-12-6-7-17(24)16(9-12)22(25,26)27)35(32,33)14-4-1-3-13(10-14)21(30)31/h1-10H,11H2,(H,30,31)
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| InChIKey |
HRMOSQSUXMIAOK-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