General Information of the Compound
| Compound ID |
CP0488497
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| Compound Name |
3-[benzyl-[6-(4-phenylpiperazin-1-yl)hexyl]amino]phenol;hydrochloride
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| Structure |
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| Formula |
C29H37N3O
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| Molecular Weight |
443.635
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| Canonical SMILES |
Oc1cccc(c1)N(CCCCCCN1CCN(CC1)c1ccccc1)Cc1ccccc1
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| InChI |
InChI=1S/C29H37N3O.ClH/c33-29-17-11-16-28(24-29)32(25-26-12-5-3-6-13-26)19-10-2-1-9-18-30-20-22-31(23-21-30)27-14-7-4-8-15-27;/h3-8,11-17,24,33H,1-2,9-10,18-23,25H2;1H
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| InChIKey |
PZBGHMUOISOWJE-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