General Information of the Compound
| Compound ID |
CP0823438
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| Compound Name |
2-(4-(3,3-dimethylpyrrolidine-1-carbonyl)-3,5-dimethyl-1H-pyrazol-1-yl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C18H21N5O2S
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| Molecular Weight |
371.466
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| Canonical SMILES |
Cc1nn(-c2nc3ccsc3c(=O)[nH]2)c(C)c1C(=O)N1CCC(C)(C)C1
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| InChI |
InChI=1S/C18H21N5O2S/c1-10-13(16(25)22-7-6-18(3,4)9-22)11(2)23(21-10)17-19-12-5-8-26-14(12)15(24)20-17/h5,8H,6-7,9H2,1-4H3,(H,19,20,24)
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| InChIKey |
OGTNTZUSWPALHX-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