General Information of the Compound
| Compound ID |
CP0529063
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| Compound Name |
N-benzyl-4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxy-N-methylbutan-1-amine
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| Structure |
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| Formula |
C21H23Cl2N3O
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| Molecular Weight |
404.341
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| Canonical SMILES |
CN(CCCCOc1ccn(n1)-c1ccc(Cl)c(Cl)c1)Cc1ccccc1
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| InChI |
InChI=1S/C21H23Cl2N3O/c1-25(16-17-7-3-2-4-8-17)12-5-6-14-27-21-11-13-26(24-21)18-9-10-19(22)20(23)15-18/h2-4,7-11,13,15H,5-6,12,14,16H2,1H3
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| InChIKey |
PMTPMNLAVJRCSN-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