General Information of the Compound
| Compound ID |
CP0406081
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| Compound Name |
3-[(1S,2R)-3-(Ethylamino)-2-hydroxy-1-phenylpropyl]-5-fluoro-1-isopropyl-1,3-dihydro-2H-benzimidazol-2-one
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| Structure |
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| Formula |
C21H26FN3O2
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| Molecular Weight |
371.456
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| Canonical SMILES |
CCNC[C@@H](O)[C@H](c1ccccc1)n1c2cc(F)ccc2n(C(C)C)c1=O
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| InChI |
InChI=1S/C21H26FN3O2/c1-4-23-13-19(26)20(15-8-6-5-7-9-15)25-18-12-16(22)10-11-17(18)24(14(2)3)21(25)27/h5-12,14,19-20,23,26H,4,13H2,1-3H3/t19-,20+/m1/s1
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| InChIKey |
IQUFPTOFVDDVOF-UXHICEINSA-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