General Information of the Compound
| Compound ID |
CP0891033
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| Compound Name |
cis-5-((2-chlorophenyl)ethynyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
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| Structure |
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| Formula |
C19H23ClN2O
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| Molecular Weight |
330.859
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| Canonical SMILES |
CN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1C#Cc1ccccc1Cl
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| InChI |
InChI=1S/C19H23ClN2O/c1-21-17(10-9-15-7-3-4-8-18(15)20)13-16(19(21)23)14-22-11-5-2-6-12-22/h3-4,7-8,16-17H,2,5-6,11-14H2,1H3/t16-,17-/m1/s1
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| InChIKey |
CERLNDRLDQEXDA-IAGOWNOFSA-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