General Information of the Compound
| Compound ID |
CP0772445
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| Compound Name |
2-[3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1H-pyrazol-1-yl]-3H,4H-thieno[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C19H15N5O2S
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| Molecular Weight |
377.429
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| Canonical SMILES |
O=C(c1ccn(-c2nc3ccsc3c(=O)[nH]2)n1)N1CCc2ccccc2C1
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| InChI |
InChI=1S/C19H15N5O2S/c25-17-16-14(7-10-27-16)20-19(21-17)24-9-6-15(22-24)18(26)23-8-5-12-3-1-2-4-13(12)11-23/h1-4,6-7,9-10H,5,8,11H2,(H,20,21,25)
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| InChIKey |
UXOVNLFOUAGUPW-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