General Information of the Compound
| Compound ID |
CP0539652
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| Compound Name |
(2S,3R)-methyl 1-(3-chloro-4-cyano-2-methylphenylsulfonyl)-3-hydroxypyrrolidine-2-carboxylate
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| Structure |
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| Formula |
C14H15ClN2O5S
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| Molecular Weight |
358.803
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| Canonical SMILES |
COC(=O)[C@@H]1[C@H](O)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1C
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| InChI |
InChI=1S/C14H15ClN2O5S/c1-8-11(4-3-9(7-16)12(8)15)23(20,21)17-6-5-10(18)13(17)14(19)22-2/h3-4,10,13,18H,5-6H2,1-2H3/t10-,13+/m1/s1
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| InChIKey |
SFJHXIKHAFLZTL-MFKMUULPSA-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: PT01577, Androgen receptor
Protein ID: PT00894, Androgen receptor