General Information of the Compound
| Compound ID |
CP0397785
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| Compound Name |
4-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]benzonitrile
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| Structure |
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| Formula |
C18H18N4
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| Molecular Weight |
290.37
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| Canonical SMILES |
N#Cc1ccc(\C=N\N2CCN(CC2)c2ccccc2)cc1
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| InChI |
InChI=1S/C18H18N4/c19-14-16-6-8-17(9-7-16)15-20-22-12-10-21(11-13-22)18-4-2-1-3-5-18/h1-9,15H,10-13H2/b20-15+
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| InChIKey |
RJSATBINSWLIHY-HMMYKYKNSA-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