General Information of the Compound
| Compound ID |
CP0419048
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| Compound Name |
N-[1-(3-bromo-4-piperidin-4-yloxyphenyl)sulfonylpiperidin-4-yl]-3,4-dichlorobenzamide
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| Structure |
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| Formula |
C23H26BrCl2N3O4S
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| Molecular Weight |
591.355
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| Canonical SMILES |
Clc1ccc(cc1Cl)C(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(OC2CCNCC2)c(Br)c1
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| InChI |
InChI=1S/C23H26BrCl2N3O4S/c24-19-14-18(2-4-22(19)33-17-5-9-27-10-6-17)34(31,32)29-11-7-16(8-12-29)28-23(30)15-1-3-20(25)21(26)13-15/h1-4,13-14,16-17,27H,5-12H2,(H,28,30)
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| InChIKey |
OZEUXSUCNVQZSI-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