General Information of the Compound
| Compound ID |
CP0573746
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| Compound Name |
3-(3-chloro-4-methylphenyl)-1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]propan-1-one
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| Structure |
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| Formula |
C23H25ClN2O4
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| Molecular Weight |
428.916
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| Canonical SMILES |
Cc1ccc(CCC(=O)N2CCN(CC2)C(=O)C2COc3ccccc3O2)cc1Cl
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| InChI |
InChI=1S/C23H25ClN2O4/c1-16-6-7-17(14-18(16)24)8-9-22(27)25-10-12-26(13-11-25)23(28)21-15-29-19-4-2-3-5-20(19)30-21/h2-7,14,21H,8-13,15H2,1H3
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| InChIKey |
XKAKTSTYDINARL-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