General Information of the Compound
| Compound ID |
CP0402587
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| Compound Name |
1-Cyclopentyl-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 |
C22H27N3O2
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| Molecular Weight |
365.477
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| Canonical SMILES |
CNC[C@@H](O)[C@H](c1ccccc1)n1c2ccccc2n(C2CCCC2)c1=O
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| InChI |
InChI=1S/C22H27N3O2/c1-23-15-20(26)21(16-9-3-2-4-10-16)25-19-14-8-7-13-18(19)24(22(25)27)17-11-5-6-12-17/h2-4,7-10,13-14,17,20-21,23,26H,5-6,11-12,15H2,1H3/t20-,21+/m1/s1
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| InChIKey |
PUQYZIQIINNNTQ-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