General Information of the Compound
| Compound ID |
CP0482590
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| Compound Name |
1-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-4-(4-propylphenoxy)butan-2-ol
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| Structure |
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| Formula |
C27H36ClN3O2
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| Molecular Weight |
470.057
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| Canonical SMILES |
CCCc1ccc(OCCC(O)CN(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)cc1
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| InChI |
InChI=1S/C27H36ClN3O2/c1-5-8-22-11-13-25(14-12-22)33-16-15-24(32)18-30(4)19-26-20(2)29-31(21(26)3)17-23-9-6-7-10-27(23)28/h6-7,9-14,24,32H,5,8,15-19H2,1-4H3
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| InChIKey |
IAVLXWDMCZAZMR-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