General Information of the Compound
| Compound ID |
CP0449855
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| Compound Name |
3-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol
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| Structure |
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| Formula |
C17H19N3O
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| Molecular Weight |
281.359
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| Canonical SMILES |
Oc1cccc(\C=N\N2CCN(CC2)c2ccccc2)c1
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| InChI |
InChI=1S/C17H19N3O/c21-17-8-4-5-15(13-17)14-18-20-11-9-19(10-12-20)16-6-2-1-3-7-16/h1-8,13-14,21H,9-12H2/b18-14+
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| InChIKey |
IAHBIDVTYVCLIU-NBVRZTHBSA-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