General Information of the Compound
| Compound ID |
CP0536963
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| Compound Name |
1'-[[5-bromo-1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]-1-methylsulfonylspiro[azetidine-3,3'-indole]-2'-one
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| Structure |
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| Formula |
C23H25BrN4O4S
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| Molecular Weight |
533.448
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| Canonical SMILES |
CS(=O)(=O)N1CC2(C1)C(=O)N(Cc1nc3cc(Br)ccc3n1CCCCO)c1ccccc21
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| InChI |
InChI=1S/C23H25BrN4O4S/c1-33(31,32)26-14-23(15-26)17-6-2-3-7-19(17)28(22(23)30)13-21-25-18-12-16(24)8-9-20(18)27(21)10-4-5-11-29/h2-3,6-9,12,29H,4-5,10-11,13-15H2,1H3
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| InChIKey |
PKDDGUYKUPFRSW-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