General Information of the Compound
| Compound ID |
CP0578985
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| Compound Name |
(3E)-6-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
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| Structure |
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| Formula |
C17H15BrN2O
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| Molecular Weight |
343.224
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| Canonical SMILES |
Brc1ccc2\C(=C/c3cc4CCCCc4[nH]3)C(=O)Nc2c1
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| InChI |
InChI=1S/C17H15BrN2O/c18-11-5-6-13-14(17(21)20-16(13)8-11)9-12-7-10-3-1-2-4-15(10)19-12/h5-9,19H,1-4H2,(H,20,21)/b14-9+
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| InChIKey |
GTHBLVVCPDXRRZ-NTEUORMPSA-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