General Information of the Compound
| Compound ID |
CP0560906
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| Compound Name |
N-[2-chloro-4-(4-methylpiperazine-1-carbonyl)phenyl]-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carboxamide
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| Structure |
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| Formula |
C19H18ClN5O3S
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| Molecular Weight |
431.905
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1ccc(NC(=O)c2csc3c2nc[nH]c3=O)c(Cl)c1
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| InChI |
InChI=1S/C19H18ClN5O3S/c1-24-4-6-25(7-5-24)19(28)11-2-3-14(13(20)8-11)23-17(26)12-9-29-16-15(12)21-10-22-18(16)27/h2-3,8-10H,4-7H2,1H3,(H,23,26)(H,21,22,27)
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| InChIKey |
GGLCUAFWLZHIJG-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