General Information of the Compound
| Compound ID |
CP0553306
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| Compound Name |
N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-pyrrolidin-1-ylbenzamide
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| Structure |
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| Formula |
C19H22ClN3O3S
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| Molecular Weight |
407.923
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)N2CCCC2)c(Cl)c1
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| InChI |
InChI=1S/C19H22ClN3O3S/c1-27(25,26)22-16-7-4-15(18(20)12-16)13-21-19(24)14-5-8-17(9-6-14)23-10-2-3-11-23/h4-9,12,22H,2-3,10-11,13H2,1H3,(H,21,24)
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| InChIKey |
IZUGBXYWEQVSDD-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