General Information of the Compound
| Compound ID |
CP0575444
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| Compound Name |
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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| Structure |
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| Formula |
C21H22ClN3O4
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| Molecular Weight |
415.877
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| Canonical SMILES |
Clc1cccc(c1)N1CCN(CC1)C(=O)CNC(=O)C1COc2ccccc2O1
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| InChI |
InChI=1S/C21H22ClN3O4/c22-15-4-3-5-16(12-15)24-8-10-25(11-9-24)20(26)13-23-21(27)19-14-28-17-6-1-2-7-18(17)29-19/h1-7,12,19H,8-11,13-14H2,(H,23,27)
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| InChIKey |
PDHRBELJKIEBNE-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