General Information of the Compound
| Compound ID |
CP0577381
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| Compound Name |
N-[3-[2-(3-aminopropyl)-5-(2-aminopyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
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| Structure |
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| Formula |
C22H19F3N6O2S2
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| Molecular Weight |
520.562
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| Canonical SMILES |
NCCCc1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F
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| InChI |
InChI=1S/C22H19F3N6O2S2/c23-12-6-7-14(24)17(11-12)35(32,33)31-15-4-1-3-13(19(15)25)20-21(16-8-10-28-22(27)29-16)34-18(30-20)5-2-9-26/h1,3-4,6-8,10-11,31H,2,5,9,26H2,(H2,27,28,29)
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| InChIKey |
NEZWQTPIFLCMQJ-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