General Information of the Compound
| Compound ID |
CP0506523
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| Compound Name |
2-(((R)-2-((S)-1-hydroxy-2-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamino)ethyl)pyrrolidin-1-yl)methyl)benzonitrile
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| Structure |
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| Formula |
C28H33N3O
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| Molecular Weight |
427.592
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| Canonical SMILES |
CC(C)(Cc1ccc2ccccc2c1)NC[C@H](O)[C@H]1CCCN1Cc1ccccc1C#N
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| InChI |
InChI=1S/C28H33N3O/c1-28(2,17-21-13-14-22-8-3-4-9-23(22)16-21)30-19-27(32)26-12-7-15-31(26)20-25-11-6-5-10-24(25)18-29/h3-6,8-11,13-14,16,26-27,30,32H,7,12,15,17,19-20H2,1-2H3/t26-,27+/m1/s1
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| InChIKey |
IFLUFFSBJVKYGR-SXOMAYOGSA-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