General Information of the Compound
| Compound ID |
CP0464683
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| Compound Name |
4-[8-tert-Butyl-2,4-dioxo-3-(4-trifluoromethoxy-phenyl)-1,3-diaza-spiro[4.5]dec-1-ylmethyl]-N-(1H-tetrazol-5-yl)-benzamide
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| Structure |
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| Formula |
C28H30F3N7O4
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| Molecular Weight |
585.587
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| Canonical SMILES |
CC(C)(C)C1CCC2(CC1)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)C(=O)N(C2=O)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C28H30F3N7O4/c1-26(2,3)19-12-14-27(15-13-19)23(40)38(20-8-10-21(11-9-20)42-28(29,30)31)25(41)37(27)16-17-4-6-18(7-5-17)22(39)32-24-33-35-36-34-24/h4-11,19H,12-16H2,1-3H3,(H2,32,33,34,35,36,39)
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| InChIKey |
HDKQBFLVAVRWLS-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