General Information of the Compound
| Compound ID |
CP0511626
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| Compound Name |
N-[[6-[4-(butylaminomethyl)phenyl]pyridin-2-yl]methyl]-N-cyclopentyl-4-methoxybenzenesulfonamide
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| Structure |
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| Formula |
C29H37N3O3S
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| Molecular Weight |
507.7
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| Canonical SMILES |
CCCCNCc1ccc(cc1)-c1cccc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC)cc2)n1
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| InChI |
InChI=1S/C29H37N3O3S/c1-3-4-20-30-21-23-12-14-24(15-13-23)29-11-7-8-25(31-29)22-32(26-9-5-6-10-26)36(33,34)28-18-16-27(35-2)17-19-28/h7-8,11-19,26,30H,3-6,9-10,20-22H2,1-2H3
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| InChIKey |
PUELNLUTVALFIG-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