General Information of the Compound
| Compound ID |
CP0545311
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| Compound Name |
oxalic acid;1-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,4-dihydroquinolin-2-one
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| Structure |
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| Formula |
C23H28N4O5
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| Molecular Weight |
440.5
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| Canonical SMILES |
OC(=O)C(O)=O.O=C1CCc2ccccc2N1CCCN1CCN(CC1)c1ccccn1
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| InChI |
InChI=1S/C21H26N4O.C2H2O4/c26-21-10-9-18-6-1-2-7-19(18)25(21)13-5-12-23-14-16-24(17-15-23)20-8-3-4-11-22-20;3-1(4)2(5)6/h1-4,6-8,11H,5,9-10,12-17H2;(H,3,4)(H,5,6)
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| InChIKey |
XBLQWGDDRIRBTR-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