General Information of the Compound
| Compound ID |
CP0196545
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| Compound Name |
(3Z)-3-[2-(1,3-benzodioxol-5-yl)-2-keto-ethylidene]-5-bromo-oxindole
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| Structure |
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| Formula |
C17H10BrNO4
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| Molecular Weight |
372.174
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| Canonical SMILES |
Brc1ccc2NC(=O)\C(=C/C(=O)c3ccc4OCOc4c3)c2c1
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| InChI |
InChI=1S/C17H10BrNO4/c18-10-2-3-13-11(6-10)12(17(21)19-13)7-14(20)9-1-4-15-16(5-9)23-8-22-15/h1-7H,8H2,(H,19,21)/b12-7-
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| InChIKey |
CJHSOCYXEPXZJP-GHXNOFRVSA-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