General Information of the Compound
| Compound ID |
CP0858705
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| Compound Name |
Methyl 4-(2-Chloro-4-fluorophenyl)-5-cyano-1,4-dihydro-6-methyl-2-propylpyridine-3-carboxylate
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| Structure |
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| Formula |
C18H18ClFN2O2
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| Molecular Weight |
348.805
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| Canonical SMILES |
CCCC1=C(C(=O)OC)C(c2ccc(F)cc2Cl)C(C#N)=C(C)N1
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| InChI |
InChI=1S/C18H18ClFN2O2/c1-4-5-15-17(18(23)24-3)16(13(9-21)10(2)22-15)12-7-6-11(20)8-14(12)19/h6-8,16,22H,4-5H2,1-3H3
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| InChIKey |
ZBHGJXVSUFQFPP-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
Protein ID: PT00967, Glucocorticoid receptor
Protein ID: PT01154, Mineralocorticoid receptor
Protein ID: PT01172, Progesterone receptor