General Information of the Compound
| Compound ID |
CP0372540
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| Compound Name |
1-Ethyl-4-fluoro-3-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-1,3-dihydro-2H-benzimidazol-2-one
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| Structure |
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| Formula |
C19H22FN3O2
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| Molecular Weight |
343.402
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| Canonical SMILES |
CCn1c2cccc(F)c2n([C@H]([C@H](O)CNC)c2ccccc2)c1=O
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| InChI |
InChI=1S/C19H22FN3O2/c1-3-22-15-11-7-10-14(20)18(15)23(19(22)25)17(16(24)12-21-2)13-8-5-4-6-9-13/h4-11,16-17,21,24H,3,12H2,1-2H3/t16-,17+/m1/s1
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| InChIKey |
AJLUMLBNDXXSIW-SJORKVTESA-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