General Information of the Compound
| Compound ID |
CP0185912
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| Compound Name |
N-[3-[3-methyl-4-(3-methylphenyl)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 |
CC1CN(CCCNC(=O)c2nc(no2)-c2cccnc2)CCN1c1cccc(C)c1
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| InChI |
InChI=1S/C23H28N6O2/c1-17-6-3-8-20(14-17)29-13-12-28(16-18(29)2)11-5-10-25-22(30)23-26-21(27-31-23)19-7-4-9-24-15-19/h3-4,6-9,14-15,18H,5,10-13,16H2,1-2H3,(H,25,30)
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| InChIKey |
LMYHGVVWJBEUSE-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