General Information of the Compound
| Compound ID |
CP0507900
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| Compound Name |
3-[(4-phenylpiperazin-1-yl)methyl]-5-quinolin-2-yl-1,3,4-oxadiazole-2-thione
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| Structure |
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| Formula |
C22H21N5OS
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| Molecular Weight |
403.511
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| Canonical SMILES |
S=c1oc(nn1CN1CCN(CC1)c1ccccc1)-c1ccc2ccccc2n1
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| InChI |
InChI=1S/C22H21N5OS/c29-22-27(16-25-12-14-26(15-13-25)18-7-2-1-3-8-18)24-21(28-22)20-11-10-17-6-4-5-9-19(17)23-20/h1-11H,12-16H2
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| InChIKey |
XHFQCFJXCOQQNQ-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