General Information of the Compound
| Compound ID |
CP0502978
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| Compound Name |
(+/-)-1-[2-(4-fluorophenyl)-2-(4-isopropylpiperazin-1-yl)ethyl]-4-[3-(3-methoxybiphenyl-2-yl)propyl]piperazine
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| Structure |
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| Formula |
C35H47FN4O
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| Molecular Weight |
558.786
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| Canonical SMILES |
COc1cccc(-c2ccccc2)c1CCCN1CCN(CC(N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C35H47FN4O/c1-28(2)39-23-25-40(26-24-39)34(30-14-16-31(36)17-15-30)27-38-21-19-37(20-22-38)18-8-12-33-32(11-7-13-35(33)41-3)29-9-5-4-6-10-29/h4-7,9-11,13-17,28,34H,8,12,18-27H2,1-3H3
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| InChIKey |
QQIBGMDABOGKGQ-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