General Information of the Compound
| Compound ID |
CP0839332
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| Compound Name |
2-[4-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-5-methyl-1H-pyrazol-1-yl]-3H,4H-thieno[3,2-d]pyrimidin-4-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 |
Cc1c(C(=O)N2[C@H](C)CCC[C@@H]2C)cnn1-c1nc2ccsc2c(=O)[nH]1
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| InChI |
InChI=1S/C18H21N5O2S/c1-10-5-4-6-11(2)22(10)17(25)13-9-19-23(12(13)3)18-20-14-7-8-26-15(14)16(24)21-18/h7-11H,4-6H2,1-3H3,(H,20,21,24)/t10-,11+
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| InChIKey |
XHLDPWKEHWUCBZ-PHIMTYICSA-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