General Information of the Compound
| Compound ID |
CP0402359
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| Compound Name |
2-(6-chloro-7-cyclopropylthieno[3,2-d]pyrimidin-4-yl)sulfanyl-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
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| Structure |
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| Formula |
C16H15ClN6OS2
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| Molecular Weight |
406.924
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| Canonical SMILES |
Clc1sc2c(SCC(=O)N3CCn4cnnc4C3)ncnc2c1C1CC1
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| InChI |
InChI=1S/C16H15ClN6OS2/c17-15-12(9-1-2-9)13-14(26-15)16(19-7-18-13)25-6-11(24)22-3-4-23-8-20-21-10(23)5-22/h7-9H,1-6H2
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| InChIKey |
DHMLSFBRADUDIF-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