General Information of the Compound
| Compound ID |
CP0558099
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| Compound Name |
3-[benzyl-[3-(4-phenylpiperazin-1-yl)propyl]amino]phenol
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| Structure |
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| Formula |
C26H31N3O
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| Molecular Weight |
401.554
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| Canonical SMILES |
Oc1cccc(c1)N(CCCN1CCN(CC1)c1ccccc1)Cc1ccccc1
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| InChI |
InChI=1S/C26H31N3O/c30-26-14-7-13-25(21-26)29(22-23-9-3-1-4-10-23)16-8-15-27-17-19-28(20-18-27)24-11-5-2-6-12-24/h1-7,9-14,21,30H,8,15-20,22H2
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| InChIKey |
OFXFSZOIQGIMSI-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