General Information of the Compound
| Compound ID |
CP0905600
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| Compound Name |
Methyl (4R)-5-Cyano-2,6-dimethyl-4-quinolin-4-yl-1,4-dihydropyridine-3-carboxylate
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| Structure |
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| Formula |
C19H17N3O2
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| Molecular Weight |
319.364
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| Canonical SMILES |
COC(=O)C1=C(C)NC(C)=C(C#N)[C@H]1c1ccnc2ccccc12
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| InChI |
InChI=1S/C19H17N3O2/c1-11-15(10-20)18(17(12(2)22-11)19(23)24-3)14-8-9-21-16-7-5-4-6-13(14)16/h4-9,18,22H,1-3H3/t18-/m1/s1
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| InChIKey |
XFXGACUSYCDBHL-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