General Information of the Compound
| Compound ID |
CP0659301
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| Compound Name |
N-[2,4-Difluoro-3-(4-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-trifluoromethyl-benzenesulfonamide
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| Structure |
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| Formula |
C21H13F5N4O4S
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| Molecular Weight |
512.416
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| Canonical SMILES |
COc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)c3F)c12
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| InChI |
InChI=1S/C21H13F5N4O4S/c1-34-20-15-12(8-27-19(15)28-9-29-20)18(31)16-13(22)6-7-14(17(16)23)30-35(32,33)11-4-2-10(3-5-11)21(24,25)26/h2-9,30H,1H3,(H,27,28,29)
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| InChIKey |
CQCHGINJELMJDM-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