General Information of the Compound
| Compound ID |
CP0500343
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| Compound Name |
1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-2-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)ethanone
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| Formula |
C22H22BrCl2N3O2
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| Molecular Weight |
511.247
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| Canonical SMILES |
Clc1ccc(cc1)C(N1CCN(CC1)C(=O)CC1CC(Br)=NO1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H22BrCl2N3O2/c23-20-13-19(30-26-20)14-21(29)27-9-11-28(12-10-27)22(15-1-5-17(24)6-2-15)16-3-7-18(25)8-4-16/h1-8,19,22H,9-14H2
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| InChIKey |
HQQUMBOYFMQLMX-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