General Information of the Compound
| Compound ID |
CP0067408
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| Compound Name |
8-(6-bromo-1H-benzimidazol-2-yl)-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
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| Structure |
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| Formula |
C20H19BrN4O2
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| Molecular Weight |
427.302
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| Canonical SMILES |
Brc1ccc2nc([nH]c2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1
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| InChI |
InChI=1S/C20H19BrN4O2/c21-14-6-7-16-17(12-14)23-18(22-16)24-10-8-20(9-11-24)13-25(19(26)27-20)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,22,23)
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| InChIKey |
VNMDTHYZNXLTIK-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