General Information of the Compound
| Compound ID |
CP0464685
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| Compound Name |
4-[9-tert-Butyl-2,4-dioxo-3-(4-trifluoromethoxy-phenyl)-1,3-diaza-spiro[5.5]undec-1-ylmethyl]-N-(1H-tetrazol-5-yl)-benzamide
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| Structure |
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| Formula |
C29H32F3N7O4
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| Molecular Weight |
599.614
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| Canonical SMILES |
CC(C)(C)C1CCC2(CC1)CC(=O)N(C(=O)N2Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C29H32F3N7O4/c1-27(2,3)20-12-14-28(15-13-20)16-23(40)39(21-8-10-22(11-9-21)43-29(30,31)32)26(42)38(28)17-18-4-6-19(7-5-18)24(41)33-25-34-36-37-35-25/h4-11,20H,12-17H2,1-3H3,(H2,33,34,35,36,37,41)
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| InChIKey |
ALRZRNFSVGHKHO-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