General Information of the Compound
| Compound ID |
CP0496736
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| Compound Name |
4-[8-tert-Butyl-3-(4-methanesulfonyl-phenyl)-2-oxo-1,3-diaza-spiro[4.5]dec-1-ylmethyl]-N-(2H-tetrazol-5-yl)-benzamide
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| Structure |
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| Formula |
C28H35N7O4S
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| Molecular Weight |
565.7
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| Canonical SMILES |
CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c2ccc(cc2)S(C)(=O)=O)CC1
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| InChI |
InChI=1S/C28H35N7O4S/c1-27(2,3)21-13-15-28(16-14-21)18-34(22-9-11-23(12-10-22)40(4,38)39)26(37)35(28)17-19-5-7-20(8-6-19)24(36)29-25-30-32-33-31-25/h5-12,21H,13-18H2,1-4H3,(H2,29,30,31,32,33,36)
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| InChIKey |
NYGWTHMERMBORG-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