General Information of the Compound
| Compound ID |
CP0561144
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| Compound Name |
US8987445, 147
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| Structure |
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| Formula |
C24H19F3N3NaO5S
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| Molecular Weight |
541.483
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| Canonical SMILES |
Cc1c(ncc2ccn(C)c12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C(=O)O[Na]
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| InChI |
InChI=1S/C24H20F3N3O5S.Na/c1-15-21-18(11-12-29(21)2)13-28-22(15)30(14-16-3-7-19(8-4-16)35-24(25,26)27)36(33,34)20-9-5-17(6-10-20)23(31)32;/h3-13H,14H2,1-2H3,(H,31,32);/q;+1/p-1
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| InChIKey |
AXYDMVQMENOXAY-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