General Information of the Compound
| Compound ID |
CP0910971
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| Compound Name |
Methyl (4S)-2-(Chloromethyl)-5-cyano-6-methyl-4-quinolin-4-yl-1,4-dihydropyridine-3-carboxylate
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| Structure |
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| Formula |
C19H16ClN3O2
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| Molecular Weight |
353.809
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| Canonical SMILES |
COC(=O)C1=C(CCl)NC(C)=C(C#N)[C@@H]1c1ccnc2ccccc12
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| InChI |
InChI=1S/C19H16ClN3O2/c1-11-14(10-21)17(18(19(24)25-2)16(9-20)23-11)13-7-8-22-15-6-4-3-5-12(13)15/h3-8,17,23H,9H2,1-2H3/t17-/m0/s1
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| InChIKey |
FLUAOTJNABTFRM-KRWDZBQOSA-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