General Information of the Compound
| Compound ID |
CP0248397
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| Compound Name |
4-[2-[4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]benzonitrile
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| Structure |
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| Formula |
C21H23N5O
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| Molecular Weight |
361.449
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| Canonical SMILES |
N#Cc1ccc(CCN2CCN(CCc3ccc4nonc4c3)CC2)cc1
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| InChI |
InChI=1S/C21H23N5O/c22-16-19-3-1-17(2-4-19)7-9-25-11-13-26(14-12-25)10-8-18-5-6-20-21(15-18)24-27-23-20/h1-6,15H,7-14H2
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| InChIKey |
GEWMFRYQVAYXIE-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