General Information of the Compound
| Compound ID |
CP0904167
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| Compound Name |
SID49678385
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| Structure |
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| Formula |
C22H22BrNO6
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| Molecular Weight |
476.323
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| Canonical SMILES |
COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(Br)c1OCC(=O)N(C)C
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| InChI |
InChI=1S/C22H22BrNO6/c1-24(2)21(26)13-30-22-16(23)10-14(11-20(22)27-3)4-6-17(25)15-5-7-18-19(12-15)29-9-8-28-18/h4-7,10-12H,8-9,13H2,1-3H3/b6-4+
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| InChIKey |
KUNGAXOKBRMEKE-GQCTYLIASA-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor