General Information of the Compound
| Compound ID |
CP0562349
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| Compound Name |
3-chloro-N-[2,4-difluoro-3-[5-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C21H13ClF2N6O4S
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| Molecular Weight |
518.889
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| Canonical SMILES |
COc1n[nH]c2ncc(cc12)-c1nnc(o1)-c1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F
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| InChI |
InChI=1S/C21H13ClF2N6O4S/c1-33-20-13-7-10(9-25-18(13)26-28-20)19-27-29-21(34-19)16-14(23)5-6-15(17(16)24)30-35(31,32)12-4-2-3-11(22)8-12/h2-9,30H,1H3,(H,25,26,28)
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| InChIKey |
NJASJKWXPXABRA-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