General Information of the Compound
| Compound ID |
CP0056992
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| Compound Name |
(7R)-7-ethyl-5-methyl-8-[(3S)-oxolan-3-yl]-2-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-7H-pteridin-6-one
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| Structure |
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| Formula |
C19H21N7O2S
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| Molecular Weight |
411.491
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| Canonical SMILES |
CC[C@H]1N([C@H]2CCOC2)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1nccs1
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| InChI |
InChI=1S/C19H21N7O2S/c1-3-13-19(27)25(2)14-9-21-16(23-17(14)26(13)11-4-6-28-10-11)12-8-22-24-15(12)18-20-5-7-29-18/h5,7-9,11,13H,3-4,6,10H2,1-2H3,(H,22,24)/t11-,13+/m0/s1
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| InChIKey |
PBCXNVUBDXBJNG-WCQYABFASA-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