General Information of the Compound
| Compound ID |
CP0461683
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| Compound Name |
1-(4,5-dichloro-2-(2-hydroxy-3-(4-o-tolylpiperazin-1-yl)propoxy)phenyl)ethanone
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| Structure |
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| Formula |
C22H26Cl2N2O3
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| Molecular Weight |
437.367
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| Canonical SMILES |
CC(=O)c1cc(Cl)c(Cl)cc1OCC(O)CN1CCN(CC1)c1ccccc1C
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| InChI |
InChI=1S/C22H26Cl2N2O3/c1-15-5-3-4-6-21(15)26-9-7-25(8-10-26)13-17(28)14-29-22-12-20(24)19(23)11-18(22)16(2)27/h3-6,11-12,17,28H,7-10,13-14H2,1-2H3
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| InChIKey |
RXCACFKQTYARPO-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