General Information of the Compound
| Compound ID |
CP0422642
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| Compound Name |
2-chloro-N-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-6-methylbenzenesulfonamide
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| Structure |
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| Formula |
C21H26Cl2N2O3S
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| Molecular Weight |
457.423
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| Canonical SMILES |
Cc1cccc(Cl)c1S(=O)(=O)NCCCN1CCC(O)(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H26Cl2N2O3S/c1-16-4-2-5-19(23)20(16)29(27,28)24-12-3-13-25-14-10-21(26,11-15-25)17-6-8-18(22)9-7-17/h2,4-9,24,26H,3,10-15H2,1H3
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| InChIKey |
STJZOQCHFDLLAW-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