General Information of the Compound
| Compound ID |
CP0477677
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| Compound Name |
[(2R)-1-[[4-(3-benzyl-2-methylbenzimidazol-5-yl)phenyl]methyl]pyrrolidin-2-yl]methanol
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| Structure |
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| Formula |
C27H29N3O
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| Molecular Weight |
411.549
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| Canonical SMILES |
Cc1nc2ccc(cc2n1Cc1ccccc1)-c1ccc(CN2CCC[C@@H]2CO)cc1
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| InChI |
InChI=1S/C27H29N3O/c1-20-28-26-14-13-24(16-27(26)30(20)18-21-6-3-2-4-7-21)23-11-9-22(10-12-23)17-29-15-5-8-25(29)19-31/h2-4,6-7,9-14,16,25,31H,5,8,15,17-19H2,1H3/t25-/m1/s1
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| InChIKey |
MDUQMHDMUKHVKM-RUZDIDTESA-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