General Information of the Compound
| Compound ID |
CP0004623
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| Compound Name |
3,8-dibromoboldine
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| Synonyms |
3,8-dibromoboldine
CHEMBL388564
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| Structure |
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| Formula |
C19H19Br2NO4
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| Molecular Weight |
485.172
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| Canonical SMILES |
COc1cc-2c(C[C@@H]3N(C)CCc4c(Br)c(O)c(OC)c-2c34)c(Br)c1O
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| InChI |
InChI=1S/C19H19Br2NO4/c1-22-5-4-8-13-11(22)6-10-9(7-12(25-2)17(23)16(10)21)14(13)19(26-3)18(24)15(8)20/h7,11,23-24H,4-6H2,1-3H3/t11-/m0/s1
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| InChIKey |
FTUCKVYWXINSAK-NSHDSACASA-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
Clinical Information about the Compound