General Information of the Compound
| Compound ID |
CP0545204
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| Compound Name |
1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;oxalic acid
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| Structure |
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| Formula |
C25H31N3O5
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| Molecular Weight |
453.539
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| Canonical SMILES |
OC(=O)C(O)=O.Cc1ccc(cc1)N1CCN(CCCN2C(=O)CCc3ccccc23)CC1
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| InChI |
InChI=1S/C23H29N3O.C2H2O4/c1-19-7-10-21(11-8-19)25-17-15-24(16-18-25)13-4-14-26-22-6-3-2-5-20(22)9-12-23(26)27;3-1(4)2(5)6/h2-3,5-8,10-11H,4,9,12-18H2,1H3;(H,3,4)(H,5,6)
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| InChIKey |
PEKRIZLXBVWBIL-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