General Information of the Compound
| Compound ID |
CP0902450
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| Compound Name |
tert-Butyl 5-Cyano-4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
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| Structure |
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| Formula |
C19H21FN2O2
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| Molecular Weight |
328.387
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| Canonical SMILES |
CC1=C(C#N)C(c2ccc(F)cc2)C(C(=O)OC(C)(C)C)=C(C)N1
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| InChI |
InChI=1S/C19H21FN2O2/c1-11-15(10-21)17(13-6-8-14(20)9-7-13)16(12(2)22-11)18(23)24-19(3,4)5/h6-9,17,22H,1-5H3
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| InChIKey |
ZDGXHVBHHYGNPD-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