General Information of the Compound
| Compound ID |
CP0931559
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| Compound Name |
2-[(Dimethylamino)methyl]-6-(3-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3H)-one dihydrochloride
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| Structure |
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| Formula |
C13H17Cl2N5OS
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| Molecular Weight |
362.286
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| Canonical SMILES |
Cc1n[nH]cc1-c1cc2nc(CN(C)C)[nH]c(=O)c2s1.Cl.Cl
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| InChI |
InChI=1S/C13H15N5OS.2ClH/c1-7-8(5-14-17-7)10-4-9-12(20-10)13(19)16-11(15-9)6-18(2)3;;/h4-5H,6H2,1-3H3,(H,14,17)(H,15,16,19);2*1H
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| InChIKey |
BJGCIBRJEUAAFG-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