General Information of the Compound
| Compound ID |
CP0645727
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| Compound Name |
Methyl 2-((1H-1,2,4-Triazol-1-yl)methyl)-4-(2-chloro-4-fluorophenyl)-5-cyano-6-methyl-1,4-dihydropyridine-3-carboxylate
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| Structure |
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| Formula |
C18H15ClFN5O2
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| Molecular Weight |
387.802
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| Canonical SMILES |
COC(=O)C1=C(Cn2cncn2)NC(C)=C(C#N)C1c1ccc(F)cc1Cl
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| InChI |
InChI=1S/C18H15ClFN5O2/c1-10-13(6-21)16(12-4-3-11(20)5-14(12)19)17(18(26)27-2)15(24-10)7-25-9-22-8-23-25/h3-5,8-9,16,24H,7H2,1-2H3
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| InChIKey |
MSXMGTMTOVJLOZ-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