General Information of the Compound
| Compound ID |
CP0402590
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| Compound Name |
4-Fluoro-3-[(1S,2R)-1-(3-fluorophenyl)-2-hydroxy-3-(methylamino)-propyl]-1-isopropyl-1,3-dihydro-2H-benzimidazol-2-one
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| Structure |
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| Formula |
C20H23F2N3O2
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| Molecular Weight |
375.419
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| Canonical SMILES |
CNC[C@@H](O)[C@H](c1cccc(F)c1)n1c2c(F)cccc2n(C(C)C)c1=O
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| InChI |
InChI=1S/C20H23F2N3O2/c1-12(2)24-16-9-5-8-15(22)19(16)25(20(24)27)18(17(26)11-23-3)13-6-4-7-14(21)10-13/h4-10,12,17-18,23,26H,11H2,1-3H3/t17-,18+/m1/s1
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| InChIKey |
XWEOTQVRTMMRCV-MSOLQXFVSA-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