General Information of the Compound
| Compound ID |
CP0823427
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| Compound Name |
2-(4-(4-cyclopropylpiperidine-1-carbonyl)-5-methyl-1H-pyrazol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C19H21N5O2S
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| Molecular Weight |
383.477
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(C3CC3)CC2)cnn1-c1nc2sccc2c(=O)[nH]1
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| InChI |
InChI=1S/C19H21N5O2S/c1-11-15(18(26)23-7-4-13(5-8-23)12-2-3-12)10-20-24(11)19-21-16(25)14-6-9-27-17(14)22-19/h6,9-10,12-13H,2-5,7-8H2,1H3,(H,21,22,25)
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| InChIKey |
NNLBQKKBBLNWHG-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