General Information of the Compound
| Compound ID |
CP0434783
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| Compound Name |
2-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
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| Structure |
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| Formula |
C21H21N5OS
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| Molecular Weight |
391.5
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| Canonical SMILES |
C(N1CCN(Cc2nc3ccccc3s2)CC1)c1nnc(o1)-c1ccccc1
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| InChI |
InChI=1S/C21H21N5OS/c1-2-6-16(7-3-1)21-24-23-19(27-21)14-25-10-12-26(13-11-25)15-20-22-17-8-4-5-9-18(17)28-20/h1-9H,10-15H2
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| InChIKey |
QWZHDOMIJYSQJZ-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