General Information of the Compound
| Compound ID |
CP0726233
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| Compound Name |
2-(3,5-dimethyl-4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1H-pyrazol-1-yl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C21H19N5O2S
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| Molecular Weight |
405.483
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| Canonical SMILES |
Cc1nn(-c2nc3ccsc3c(=O)[nH]2)c(C)c1C(=O)N1CCc2ccccc2C1
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| InChI |
InChI=1S/C21H19N5O2S/c1-12-17(20(28)25-9-7-14-5-3-4-6-15(14)11-25)13(2)26(24-12)21-22-16-8-10-29-18(16)19(27)23-21/h3-6,8,10H,7,9,11H2,1-2H3,(H,22,23,27)
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| InChIKey |
XUVOTTCDZUGTRL-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