General Information of the Compound
| Compound ID |
CP0745163
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| Compound Name |
2-(3-(3,3-dimethylpyrrolidine-1-carbonyl)-1H-pyrazol-1-yl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C16H17N5O2S
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| Molecular Weight |
343.412
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| Canonical SMILES |
CC1(C)CCN(C(=O)c2ccn(-c3nc4ccsc4c(=O)[nH]3)n2)C1
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| InChI |
InChI=1S/C16H17N5O2S/c1-16(2)5-7-20(9-16)14(23)11-3-6-21(19-11)15-17-10-4-8-24-12(10)13(22)18-15/h3-4,6,8H,5,7,9H2,1-2H3,(H,17,18,22)
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| InChIKey |
PJFFSFSTQAGBEB-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