General Information of the Compound
| Compound ID |
CP0385185
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| Compound Name |
2-chloro-4-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]benzonitrile
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| Structure |
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| Formula |
C17H14ClFN2O
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| Molecular Weight |
316.763
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| Canonical SMILES |
OC1(CCN(C1)c1ccc(C#N)c(Cl)c1)c1ccc(F)cc1
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| InChI |
InChI=1S/C17H14ClFN2O/c18-16-9-15(6-1-12(16)10-20)21-8-7-17(22,11-21)13-2-4-14(19)5-3-13/h1-6,9,22H,7-8,11H2
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| InChIKey |
APGSUVBRVVNRPJ-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