General Information of the Compound
| Compound ID |
CP0436595
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| Compound Name |
2-chloro-6-(((R)-2-((R)-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 |
C28H32ClN3O
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| Molecular Weight |
462.037
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| Canonical SMILES |
CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(Cl)c1C#N
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| InChI |
InChI=1S/C28H32ClN3O/c1-28(2,16-20-12-13-21-7-3-4-8-22(21)15-20)31-18-27(33)26-11-6-14-32(26)19-23-9-5-10-25(29)24(23)17-30/h3-5,7-10,12-13,15,26-27,31,33H,6,11,14,16,18-19H2,1-2H3/t26-,27-/m1/s1
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| InChIKey |
FZFQYQCKFIOIRD-KAYWLYCHSA-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