General Information of the Compound
| Compound ID |
CP0407827
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| Compound Name |
(4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carbonitrile
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| Structure |
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| Formula |
C21H20N4O2
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| Molecular Weight |
360.417
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| Canonical SMILES |
CCOc1ncc(C)c2NC(C)=C(C#N)[C@@H](c3ccc(cc3OC)C#N)c12
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| InChI |
InChI=1S/C21H20N4O2/c1-5-27-21-19-18(15-7-6-14(9-22)8-17(15)26-4)16(10-23)13(3)25-20(19)12(2)11-24-21/h6-8,11,18,25H,5H2,1-4H3/t18-/m1/s1
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| InChIKey |
YWJJBRLFZBLSNJ-GOSISDBHSA-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
Protein ID: PT00967, Glucocorticoid receptor
Protein ID: PT01154, Mineralocorticoid receptor
Protein ID: PT01172, Progesterone receptor