General Information of the Compound
| Compound ID |
CP0372520
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| Compound Name |
1-Ethyl-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 |
C19H23N3O2
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| Molecular Weight |
325.412
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| Canonical SMILES |
CCn1c2ccccc2n([C@H]([C@H](O)CNC)c2ccccc2)c1=O
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| InChI |
InChI=1S/C19H23N3O2/c1-3-21-15-11-7-8-12-16(15)22(19(21)24)18(17(23)13-20-2)14-9-5-4-6-10-14/h4-12,17-18,20,23H,3,13H2,1-2H3/t17-,18+/m1/s1
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| InChIKey |
VQHNOBXUTWSPMZ-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