General Information of the Compound
| Compound ID |
CP0873563
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| Compound Name |
(+/-)-1-[3-(5-fluorobiphenyl-2-yl)propyl]-4-[2-(4-fluorophenyl)-2-(1-isopropylpiperidin-4-yl)ethyl]piperazinetrihydrochloride
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| Structure |
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| Formula |
C35H46ClF2N3
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| Molecular Weight |
582.223
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| Canonical SMILES |
CC(C)N1CCC(C(CN2CCN(CCCc3ccc(F)cc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1.Cl
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| InChI |
InChI=1S/C35H45F2N3.ClH/c1-27(2)40-19-16-31(17-20-40)35(30-10-13-32(36)14-11-30)26-39-23-21-38(22-24-39)18-6-9-29-12-15-33(37)25-34(29)28-7-4-3-5-8-28;/h3-5,7-8,10-15,25,27,31,35H,6,9,16-24,26H2,1-2H3;1H
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| InChIKey |
KOKUHWKIBHIENK-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