General Information of the Compound
| Compound ID |
CP0464572
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| Compound Name |
3-(((R)-2-((R)-1-hydroxy-2-(1-(4-methoxyphenyl)-2-methylpropan-2-ylamino)ethyl)pyrrolidin-1-yl)methyl)benzonitrile
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| Structure |
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| Formula |
C25H33N3O2
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| Molecular Weight |
407.558
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| Canonical SMILES |
COc1ccc(CC(C)(C)NC[C@@H](O)[C@H]2CCCN2Cc2cccc(c2)C#N)cc1
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| InChI |
InChI=1S/C25H33N3O2/c1-25(2,15-19-9-11-22(30-3)12-10-19)27-17-24(29)23-8-5-13-28(23)18-21-7-4-6-20(14-21)16-26/h4,6-7,9-12,14,23-24,27,29H,5,8,13,15,17-18H2,1-3H3/t23-,24-/m1/s1
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| InChIKey |
ISFYKUAUIAMUIC-DNQXCXABSA-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