General Information of the Compound
| Compound ID |
CP0398444
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| Compound Name |
1-{6-[3-(3-Biphenyl-4-yl-5-methyl-[1,2,4]triazol-4-yl)-phenoxy]-hexyl}-4-methyl-piperazine
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| Structure |
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| Formula |
C32H39N5O
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| Molecular Weight |
509.698
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| Canonical SMILES |
CN1CCN(CCCCCCOc2cccc(c2)-n2c(C)nnc2-c2ccc(cc2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C32H39N5O/c1-26-33-34-32(29-17-15-28(16-18-29)27-11-6-5-7-12-27)37(26)30-13-10-14-31(25-30)38-24-9-4-3-8-19-36-22-20-35(2)21-23-36/h5-7,10-18,25H,3-4,8-9,19-24H2,1-2H3
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| InChIKey |
LHIKYMNCLXSHKH-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