General Information of the Compound
| Compound ID |
CP0410116
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| Compound Name |
3-[methyl-[4-(4-phenylpiperazin-1-yl)butyl]amino]phenol
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| Structure |
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| Formula |
C21H29N3O
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| Molecular Weight |
339.483
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| Canonical SMILES |
CN(CCCCN1CCN(CC1)c1ccccc1)c1cccc(O)c1
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| InChI |
InChI=1S/C21H29N3O/c1-22(20-10-7-11-21(25)18-20)12-5-6-13-23-14-16-24(17-15-23)19-8-3-2-4-9-19/h2-4,7-11,18,25H,5-6,12-17H2,1H3
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| InChIKey |
ONEQFEKVBZHFKR-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