General Information of the Compound
| Compound ID |
CP0368640
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| Compound Name |
3-[2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]benzonitrile
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| Structure |
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| Formula |
C22H23N7O
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| Molecular Weight |
401.474
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| Canonical SMILES |
O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2cccc(c2)C#N)CC1
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| InChI |
InChI=1S/C22H23N7O/c23-16-20-3-1-2-18(14-20)8-9-27-10-12-28(13-11-27)22(30)15-19-4-6-21(7-5-19)29-17-24-25-26-29/h1-7,14,17H,8-13,15H2
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| InChIKey |
PWPQHTHIFAKRKV-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