General Information of the Compound
| Compound ID |
CP0305336
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| Compound Name |
2-[(thiophen-2-ylmethylamino)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C13H15N3O2S
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| Molecular Weight |
277.349
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| Canonical SMILES |
O=c1[nH]c(CNCc2cccs2)nc2CCOCc12
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| InChI |
InChI=1S/C13H15N3O2S/c17-13-10-8-18-4-3-11(10)15-12(16-13)7-14-6-9-2-1-5-19-9/h1-2,5,14H,3-4,6-8H2,(H,15,16,17)
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| InChIKey |
OCWZKGMPXYUVNX-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