General Information of the Compound
| Compound ID |
CP0812545
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| Compound Name |
(R)-2-(5-methyl-4-(3-(methylamino)pyrrolidine-1-carbonyl)-1H-pyrazol-1-yl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C16H18N6O2S
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| Molecular Weight |
358.427
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| Canonical SMILES |
CN[C@@H]1CCN(C(=O)c2cnn(-c3nc4ccsc4c(=O)[nH]3)c2C)C1
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| InChI |
InChI=1S/C16H18N6O2S/c1-9-11(15(24)21-5-3-10(8-21)17-2)7-18-22(9)16-19-12-4-6-25-13(12)14(23)20-16/h4,6-7,10,17H,3,5,8H2,1-2H3,(H,19,20,23)/t10-/m1/s1
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| InChIKey |
NPUKLWGZTPOACH-SNVBAGLBSA-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