General Information of the Compound
| Compound ID |
CP0553172
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| Compound Name |
4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]thieno[3,2-d]pyrimidine-7-carboxamide
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| Formula |
C19H11ClF3N5O3S2
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| Molecular Weight |
513.91
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| Canonical SMILES |
Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F
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| InChI |
InChI=1S/C19H11ClF3N5O3S2/c20-10-2-4-12(28-33(30,31)13-5-8(21)1-3-11(13)22)14(23)16(10)27-19(29)9-6-32-17-15(9)25-7-26-18(17)24/h1-7,28H,(H,27,29)(H2,24,25,26)
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| InChIKey |
RKWGGMMONQXROB-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