General Information of the Compound
| Compound ID |
CP0941281
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| Compound Name |
cis-1-methyl-3-(piperidin-1-ylmethyl)-5-(o-tolylethynyl)pyrrolidin-2-one
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| Structure |
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| Formula |
C20H26N2O
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| Molecular Weight |
310.441
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| Canonical SMILES |
Cc1ccccc1C#C[C@@H]1C[C@H](CN2CCCCC2)C(=O)N1C
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| InChI |
InChI=1S/C20H26N2O/c1-16-8-4-5-9-17(16)10-11-19-14-18(20(23)21(19)2)15-22-12-6-3-7-13-22/h4-5,8-9,18-19H,3,6-7,12-15H2,1-2H3/t18-,19-/m1/s1
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| InChIKey |
DREIFUDPVGZIMM-RTBURBONSA-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