General Information of the Compound
| Compound ID |
CP0442254
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| Compound Name |
US8987445, 64
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| Structure |
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| Formula |
C23H15F4N2NaO4S2
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| Molecular Weight |
546.499
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| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1cc(F)c(s1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(=O)O[Na]
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| InChI |
InChI=1S/C23H16F4N2O4S2.Na/c1-13-18-5-3-2-4-15(18)11-28-21(13)29(12-16-10-19(24)20(34-16)23(25,26)27)35(32,33)17-8-6-14(7-9-17)22(30)31;/h2-11H,12H2,1H3,(H,30,31);/q;+1/p-1
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| InChIKey |
RTRLILOSOWVOAA-UHFFFAOYSA-M
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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