General Information of the Compound
| Compound ID |
CP0860900
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| Compound Name |
(+/-)-1-[2-(4-fluorophenyl)-2-(1-isopropylpiperidin-4-yl)ethyl]-4-[4-(2-methoxy-1-naphthyl)butyl]piperazine trihydrochloride
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| Structure |
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| Formula |
C35H49ClFN3O
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| Molecular Weight |
582.248
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| Canonical SMILES |
COc1ccc2ccccc2c1CCCCN1CCN(CC(c2ccc(F)cc2)C2CCN(C(C)C)CC2)CC1.Cl
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| InChI |
InChI=1S/C35H48FN3O.ClH/c1-27(2)39-20-17-30(18-21-39)34(29-11-14-31(36)15-12-29)26-38-24-22-37(23-25-38)19-7-6-10-33-32-9-5-4-8-28(32)13-16-35(33)40-3;/h4-5,8-9,11-16,27,30,34H,6-7,10,17-26H2,1-3H3;1H
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| InChIKey |
ISYSUUGKBGYVMF-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