General Information of the Compound
| Compound ID |
CP0492073
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| Compound Name |
4-[8-tert-Butyl-3-(3,4-difluoro-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 |
C27H31F2N7O2
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| Molecular Weight |
523.588
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| Canonical SMILES |
CC(C)(C)C1CCC2(CN(C(=O)N2Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)c2ccc(F)c(F)c2)CC1
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| InChI |
InChI=1S/C27H31F2N7O2/c1-26(2,3)19-10-12-27(13-11-19)16-35(20-8-9-21(28)22(29)14-20)25(38)36(27)15-17-4-6-18(7-5-17)23(37)30-24-31-33-34-32-24/h4-9,14,19H,10-13,15-16H2,1-3H3,(H2,30,31,32,33,34,37)
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| InChIKey |
MVSZGXPGZVTGHR-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