General Information of the Compound
| Compound ID |
CP0545107
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| Compound Name |
N-[3-[[5-chloro-2-[(5-thiophen-3-ylpyridin-2-yl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
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| Structure |
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| Formula |
C21H17ClN6OS
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| Molecular Weight |
436.928
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| Canonical SMILES |
CC(=O)Nc1cccc(Nc2nc(Nc3ccc(cn3)-c3ccsc3)ncc2Cl)c1
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| InChI |
InChI=1S/C21H17ClN6OS/c1-13(29)25-16-3-2-4-17(9-16)26-20-18(22)11-24-21(28-20)27-19-6-5-14(10-23-19)15-7-8-30-12-15/h2-12H,1H3,(H,25,29)(H2,23,24,26,27,28)
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| InChIKey |
CVEIEBFUSJRUSP-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