General Information of the Compound
| Compound ID |
CP0511293
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| Compound Name |
2,4-dichloro-N-[[4-(4-propylsulfonylpiperazin-1-yl)oxan-4-yl]methyl]benzamide
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| Structure |
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| Formula |
C20H29Cl2N3O4S
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| Molecular Weight |
478.442
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| Canonical SMILES |
CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2ccc(Cl)cc2Cl)CCOCC1
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| InChI |
InChI=1S/C20H29Cl2N3O4S/c1-2-13-30(27,28)25-9-7-24(8-10-25)20(5-11-29-12-6-20)15-23-19(26)17-4-3-16(21)14-18(17)22/h3-4,14H,2,5-13,15H2,1H3,(H,23,26)
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| InChIKey |
CJCMXVJHXTZOFD-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