General Information of the Compound
| Compound ID |
CP0402586
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| Compound Name |
1-Cyclobutyl-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 |
C21H25N3O2
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| Molecular Weight |
351.45
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| Canonical SMILES |
CNC[C@@H](O)[C@H](c1ccccc1)n1c2ccccc2n(C2CCC2)c1=O
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| InChI |
InChI=1S/C21H25N3O2/c1-22-14-19(25)20(15-8-3-2-4-9-15)24-18-13-6-5-12-17(18)23(21(24)26)16-10-7-11-16/h2-6,8-9,12-13,16,19-20,22,25H,7,10-11,14H2,1H3/t19-,20+/m1/s1
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| InChIKey |
IWVPGLLZAJONSB-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