General Information of the Compound
| Compound ID |
CP0469748
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| Compound Name |
4-chloro-N-(2-isoquinolin-3-ylethyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C25H21ClN6O2S
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| Molecular Weight |
505.003
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| Canonical SMILES |
Clc1ccc(cc1)S(=O)(=O)N(CCc1cc2ccccc2cn1)Cc1ccc(cc1)-c1nnn[nH]1
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| InChI |
InChI=1S/C25H21ClN6O2S/c26-22-9-11-24(12-10-22)35(33,34)32(14-13-23-15-20-3-1-2-4-21(20)16-27-23)17-18-5-7-19(8-6-18)25-28-30-31-29-25/h1-12,15-16H,13-14,17H2,(H,28,29,30,31)
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| InChIKey |
KPDBGOIVTOJGHM-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