General Information of the Compound
| Compound ID |
CP0203751
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| Compound Name |
N-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]propyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
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| Structure |
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| Formula |
C23H28N6O2
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| Molecular Weight |
420.517
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| Canonical SMILES |
Cc1ccc(cc1C)N1CCN(CCCNC(=O)c2nc(no2)-c2cccnc2)CC1
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| InChI |
InChI=1S/C23H28N6O2/c1-17-6-7-20(15-18(17)2)29-13-11-28(12-14-29)10-4-9-25-22(30)23-26-21(27-31-23)19-5-3-8-24-16-19/h3,5-8,15-16H,4,9-14H2,1-2H3,(H,25,30)
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| InChIKey |
JETDMJVXCWIDCR-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