General Information of the Compound
| Compound ID |
CP0859440
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| Compound Name |
(S)-Ethyl 5-Cyano-6-methyl-2-propyl-4-quinolin-4-yl-1,4-dihydropyridine-3-carboxylate
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| Structure |
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| Formula |
C22H23N3O2
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| Molecular Weight |
361.445
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| Canonical SMILES |
CCCC1=C(C(=O)OCC)[C@@H](c2ccnc3ccccc23)C(C#N)=C(C)N1
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| InChI |
InChI=1S/C22H23N3O2/c1-4-8-19-21(22(26)27-5-2)20(17(13-23)14(3)25-19)16-11-12-24-18-10-7-6-9-15(16)18/h6-7,9-12,20,25H,4-5,8H2,1-3H3/t20-/m0/s1
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| InChIKey |
LIHLXWYJHXJFEM-FQEVSTJZSA-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