General Information of the Compound
| Compound ID |
CP0494312
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| Compound Name |
1-(4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)-3-methylbutan-1-one
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| Structure |
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| Formula |
C17H24N4OS
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| Molecular Weight |
332.473
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| Canonical SMILES |
CCc1cc2c(ncnc2s1)N1CCN(CC1)C(=O)CC(C)C
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| InChI |
InChI=1S/C17H24N4OS/c1-4-13-10-14-16(18-11-19-17(14)23-13)21-7-5-20(6-8-21)15(22)9-12(2)3/h10-12H,4-9H2,1-3H3
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| InChIKey |
VXYVSOPLZPNDLE-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