General Information of the Compound
| Compound ID |
CP0454724
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| Compound Name |
N-[2-[ethyl(methyl)amino]-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 |
C22H26N6O3S
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| Molecular Weight |
454.556
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| Canonical SMILES |
CCN(C)c1cc(ccc1NC(=O)c1csc2c1nc[nH]c2=O)C(=O)N1CCN(C)CC1
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| InChI |
InChI=1S/C22H26N6O3S/c1-4-27(3)17-11-14(22(31)28-9-7-26(2)8-10-28)5-6-16(17)25-20(29)15-12-32-19-18(15)23-13-24-21(19)30/h5-6,11-13H,4,7-10H2,1-3H3,(H,25,29)(H,23,24,30)
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| InChIKey |
YDSQTQQTJFRBOI-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