General Information of the Compound
| Compound ID |
CP0459743
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| Compound Name |
1-[4-[3-(6-methylpyridin-2-yl)prop-2-ynylidene]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
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| Structure |
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| Formula |
C20H25N3O
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| Molecular Weight |
323.44
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| Canonical SMILES |
Cc1cccc(n1)C#CC=C1CCN(CC1)C(=O)CN1CCCC1
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| InChI |
InChI=1S/C20H25N3O/c1-17-6-4-8-19(21-17)9-5-7-18-10-14-23(15-11-18)20(24)16-22-12-2-3-13-22/h4,6-8H,2-3,10-16H2,1H3
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| InChIKey |
LDRGOINSVBFBDO-UHFFFAOYSA-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