General Information of the Compound
| Compound ID |
CP0394991
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| Compound Name |
2-[4-amino-5-(4-bromophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]acetamide
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| Formula |
C22H25BrN6OS
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| Molecular Weight |
501.454
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| Canonical SMILES |
Cc1nnc2nc(SCC(=O)NCCC3=CCCCC3)n(c(N)c12)-c1ccc(Br)cc1
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| InChI |
InChI=1S/C22H25BrN6OS/c1-14-19-20(24)29(17-9-7-16(23)8-10-17)22(26-21(19)28-27-14)31-13-18(30)25-12-11-15-5-3-2-4-6-15/h5,7-10H,2-4,6,11-13,24H2,1H3,(H,25,30)
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| InChIKey |
DFQPUTIIYXYGGX-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