General Information of the Compound
| Compound ID |
CP0557064
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| Compound Name |
N-[2-methyl-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 |
C20H21N5O3S
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| Molecular Weight |
411.487
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1ccc(NC(=O)c2csc3c2nc[nH]c3=O)c(C)c1
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| InChI |
InChI=1S/C20H21N5O3S/c1-12-9-13(20(28)25-7-5-24(2)6-8-25)3-4-15(12)23-18(26)14-10-29-17-16(14)21-11-22-19(17)27/h3-4,9-11H,5-8H2,1-2H3,(H,23,26)(H,21,22,27)
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| InChIKey |
ZPYNSJPSVLQMPH-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