General Information of the Compound
| Compound ID |
CP0464688
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| Compound Name |
4-{3-[1-(4-Bromo-phenyl)-ethyl]-8-tert-butyl-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 |
C29H36BrN7O2
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| Molecular Weight |
594.558
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| Canonical SMILES |
CC(N1CC2(CCC(CC2)C(C)(C)C)N(Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)C1=O)c1ccc(Br)cc1
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| InChI |
InChI=1S/C29H36BrN7O2/c1-19(21-9-11-24(30)12-10-21)36-18-29(15-13-23(14-16-29)28(2,3)4)37(27(36)39)17-20-5-7-22(8-6-20)25(38)31-26-32-34-35-33-26/h5-12,19,23H,13-18H2,1-4H3,(H2,31,32,33,34,35,38)
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| InChIKey |
UURKGMHNYJQPCY-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