General Information of the Compound
| Compound ID |
CP0486599
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| Compound Name |
4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]thiomorpholine
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| Structure |
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| Formula |
C17H21Cl2N3OS
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| Molecular Weight |
386.348
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| Canonical SMILES |
Clc1ccc(cc1Cl)-n1ccc(OCCCCN2CCSCC2)n1
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| InChI |
InChI=1S/C17H21Cl2N3OS/c18-15-4-3-14(13-16(15)19)22-7-5-17(20-22)23-10-2-1-6-21-8-11-24-12-9-21/h3-5,7,13H,1-2,6,8-12H2
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| InChIKey |
PEFMCPQSHLLKBV-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