General Information of the Compound
| Compound ID |
CP0472078
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| Compound Name |
6-Bromo-5-methoxy-2-methyl-1-phenyl-1H-indole-3-carboxylic acid (2-diethylamino-ethyl)-amide
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| Structure |
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| Formula |
C23H28BrN3O2
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| Molecular Weight |
458.4
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| Canonical SMILES |
CCN(CC)CCNC(=O)c1c(C)n(-c2ccccc2)c2cc(Br)c(OC)cc12
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| InChI |
InChI=1S/C23H28BrN3O2/c1-5-26(6-2)13-12-25-23(28)22-16(3)27(17-10-8-7-9-11-17)20-15-19(24)21(29-4)14-18(20)22/h7-11,14-15H,5-6,12-13H2,1-4H3,(H,25,28)
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| InChIKey |
STFNAPXAWAEXNC-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor