General Information of the Compound
| Compound ID |
CP0391110
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| Compound Name |
propan-2-yl 2-methyl-4-thiophen-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
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| Structure |
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| Formula |
C19H19N3O2S
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| Molecular Weight |
353.447
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| Canonical SMILES |
CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccsc1
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| InChI |
InChI=1S/C19H19N3O2S/c1-11(2)24-18(23)16-12(3)20-19-21-14-6-4-5-7-15(14)22(19)17(16)13-8-9-25-10-13/h4-11,17H,1-3H3,(H,20,21)
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| InChIKey |
FLDPOALIHQWAGV-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