General Information of the Compound
| Compound ID |
CP0566526
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| Compound Name |
3-[methyl-[6-(4-naphthalen-1-ylpiperazin-1-yl)hexyl]amino]phenol;hydrochloride
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| Structure |
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| Formula |
C27H35N3O
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| Molecular Weight |
417.597
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| Canonical SMILES |
CN(CCCCCCN1CCN(CC1)c1cccc2ccccc12)c1cccc(O)c1
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| InChI |
InChI=1S/C27H35N3O.ClH/c1-28(24-12-9-13-25(31)22-24)16-6-2-3-7-17-29-18-20-30(21-19-29)27-15-8-11-23-10-4-5-14-26(23)27;/h4-5,8-15,22,31H,2-3,6-7,16-21H2,1H3;1H
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| InChIKey |
BUJOJIZQNUJFRL-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