General Information of the Compound
| Compound ID |
CP0402584
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| Compound Name |
4-Fluoro-3-[(1S,2R)-1-(3-fluorophenyl)-2-hydroxy-3-(methylamino)propyl]-1-phenyl-1,3-dihydro-2H-benzimidazol-2-one
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| Structure |
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| Formula |
C23H21F2N3O2
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| Molecular Weight |
409.436
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| Canonical SMILES |
CNC[C@@H](O)[C@H](c1cccc(F)c1)n1c2c(F)cccc2n(-c2ccccc2)c1=O
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| InChI |
InChI=1S/C23H21F2N3O2/c1-26-14-20(29)21(15-7-5-8-16(24)13-15)28-22-18(25)11-6-12-19(22)27(23(28)30)17-9-3-2-4-10-17/h2-13,20-21,26,29H,14H2,1H3/t20-,21+/m1/s1
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| InChIKey |
HNVLFSMNTLSQDR-RTWAWAEBSA-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