General Information of the Compound
| Compound ID |
CP0168578
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| Compound Name |
(3-chlorophenyl)-[(3E)-3-[3-(6-methylpyridin-2-yl)prop-2-ynylidene]pyrrolidin-1-yl]methanone
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| Structure |
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| Formula |
C20H17ClN2O
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| Molecular Weight |
336.822
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| Canonical SMILES |
Cc1cccc(n1)C#C\C=C1/CCN(C1)C(=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C20H17ClN2O/c1-15-5-2-9-19(22-15)10-3-6-16-11-12-23(14-16)20(24)17-7-4-8-18(21)13-17/h2,4-9,13H,11-12,14H2,1H3/b16-6+
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| InChIKey |
BBLONYQGHILASQ-OMCISZLKSA-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