General Information of the Compound
| Compound ID |
CP0391689
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| Compound Name |
4-(3-benzyl-3-hydroxypyrrolidin-1-yl)-2-chlorobenzonitrile
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| Structure |
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| Formula |
C18H17ClN2O
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| Molecular Weight |
312.8
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| Canonical SMILES |
OC1(Cc2ccccc2)CCN(C1)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C18H17ClN2O/c19-17-10-16(7-6-15(17)12-20)21-9-8-18(22,13-21)11-14-4-2-1-3-5-14/h1-7,10,22H,8-9,11,13H2
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| InChIKey |
NOTNXUMZXQAPPB-UHFFFAOYSA-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
Protein ID: PT00894, Androgen receptor
Cell-based Assay