General Information of the Compound
| Compound ID |
CP0383522
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| Compound Name |
(+/-)-2'-(3-{4-[2-(4-fluorophenyl)-2-(4-isopropylpiperazin-1-yl)ethyl]piperazin-1-yl}propyl)-N,N-dimethylbiphenyl-4-amine
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| Structure |
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| Formula |
C36H50FN5
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| Molecular Weight |
571.829
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(CN1CCN(CCCc2ccccc2-c2ccc(cc2)N(C)C)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C36H50FN5/c1-29(2)41-24-26-42(27-25-41)36(32-11-15-33(37)16-12-32)28-40-22-20-39(21-23-40)19-7-9-30-8-5-6-10-35(30)31-13-17-34(18-14-31)38(3)4/h5-6,8,10-18,29,36H,7,9,19-28H2,1-4H3
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| InChIKey |
QAHPGFWCLSTEMJ-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