General Information of the Compound
| Compound ID |
CP0469097
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| Compound Name |
1-(4-pyridin-4-ylpiperazin-1-yl)-4-quinolin-5-ylbutan-1-one
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| Formula |
C22H24N4O
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| Molecular Weight |
360.461
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| Canonical SMILES |
O=C(CCCc1cccc2ncccc12)N1CCN(CC1)c1ccncc1
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| InChI |
InChI=1S/C22H24N4O/c27-22(26-16-14-25(15-17-26)19-9-12-23-13-10-19)8-2-5-18-4-1-7-21-20(18)6-3-11-24-21/h1,3-4,6-7,9-13H,2,5,8,14-17H2
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| InChIKey |
ZEIWKRKNCNHXEX-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