General Information of the Compound
| Compound ID |
CP0505681
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| Compound Name |
1-(4,5-dichloro-2-(2-hydroxy-3-(4-o-tolylpiperazin-1-yl)propoxy)phenyl)-3-phenylpropan-1-one
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| Structure |
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| Formula |
C29H32Cl2N2O3
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| Molecular Weight |
527.492
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| Canonical SMILES |
Cc1ccccc1N1CCN(CC(O)COc2cc(Cl)c(Cl)cc2C(=O)CCc2ccccc2)CC1
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| InChI |
InChI=1S/C29H32Cl2N2O3/c1-21-7-5-6-10-27(21)33-15-13-32(14-16-33)19-23(34)20-36-29-18-26(31)25(30)17-24(29)28(35)12-11-22-8-3-2-4-9-22/h2-10,17-18,23,34H,11-16,19-20H2,1H3
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| InChIKey |
QDIPNTFLYXEGQD-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