General Information of the Compound
| Compound ID |
CP0445608
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| Compound Name |
8''-bromo-4-methylspiro[cyclohexane-1,4''-(1'',2'',3'',4''-tetrahydroquinazoline)]-2''-one
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| Structure |
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| Formula |
C14H17BrN2O
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| Molecular Weight |
309.207
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| Canonical SMILES |
CC1CCC2(CC1)NC(=O)Nc1c(Br)cccc21
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| InChI |
InChI=1S/C14H17BrN2O/c1-9-5-7-14(8-6-9)10-3-2-4-11(15)12(10)16-13(18)17-14/h2-4,9H,5-8H2,1H3,(H2,16,17,18)
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| InChIKey |
HLGLZMGMMIOPGM-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