General Information of the Compound
| Compound ID |
CP0488496
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| Compound Name |
3-[methyl-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexyl]amino]phenol;hydrochloride
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| Structure |
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| Formula |
C24H32F3N3O
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| Molecular Weight |
435.534
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| Canonical SMILES |
CN(CCCCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)c1cccc(O)c1
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| InChI |
InChI=1S/C24H32F3N3O.ClH/c1-28(21-9-7-11-23(31)19-21)12-4-2-3-5-13-29-14-16-30(17-15-29)22-10-6-8-20(18-22)24(25,26)27;/h6-11,18-19,31H,2-5,12-17H2,1H3;1H
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| InChIKey |
DXSYDYKVRGFRHU-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