General Information of the Compound
| Compound ID |
CP0246931
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| Compound Name |
4-(1H-benzimidazol-2-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine
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| Structure |
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| Formula |
C18H12N4OS
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| Molecular Weight |
332.388
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| Canonical SMILES |
C(Sc1ncnc2c3ccccc3oc12)c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C18H12N4OS/c1-4-8-14-11(5-1)16-17(23-14)18(20-10-19-16)24-9-15-21-12-6-2-3-7-13(12)22-15/h1-8,10H,9H2,(H,21,22)
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| InChIKey |
VXLSYPVPTOYMJS-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