General Information of the Compound
| Compound ID |
CP0420723
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| Compound Name |
N-[2-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]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 |
COc1cc(ccc1NC(=O)c1csc2cncnc12)C(=O)N1CCN(C)CC1
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| InChI |
InChI=1S/C20H21N5O3S/c1-24-5-7-25(8-6-24)20(27)13-3-4-15(16(9-13)28-2)23-19(26)14-11-29-17-10-21-12-22-18(14)17/h3-4,9-12H,5-8H2,1-2H3,(H,23,26)
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| InChIKey |
IKFWNJULDLDZTG-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