General Information of the Compound
| Compound ID |
CP0966386
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| Compound Name |
2-(4-((4aR,8aS)-decahydroisoquinoline-2-carbonyl)-5-methyl-1H-pyrazol-1-yl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C20H23N5O2S
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| Molecular Weight |
397.504
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| Canonical SMILES |
Cc1c(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)cnn1-c1nc2ccsc2c(=O)[nH]1
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| InChI |
InChI=1S/C20H23N5O2S/c1-12-15(19(27)24-8-6-13-4-2-3-5-14(13)11-24)10-21-25(12)20-22-16-7-9-28-17(16)18(26)23-20/h7,9-10,13-14H,2-6,8,11H2,1H3,(H,22,23,26)/t13-,14-/m1/s1
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| InChIKey |
AZZVATYHOYFSFJ-ZIAGYGMSSA-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