General Information of the Compound
| Compound ID |
CP0436676
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| Compound Name |
4-[8-tert-Butyl-3-(2-chloro-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 |
C27H32ClN7O2
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| Molecular Weight |
522.053
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| Canonical SMILES |
CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c2ccccc2Cl)CC1
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| InChI |
InChI=1S/C27H32ClN7O2/c1-26(2,3)20-12-14-27(15-13-20)17-34(22-7-5-4-6-21(22)28)25(37)35(27)16-18-8-10-19(11-9-18)23(36)29-24-30-32-33-31-24/h4-11,20H,12-17H2,1-3H3,(H2,29,30,31,32,33,36)
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| InChIKey |
ZJWPQVVQGKUHJK-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