General Information of the Compound
| Compound ID |
CP0452070
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| Compound Name |
1-(5-Bromo-6-chloro-pyridine-3-sulfonyl)-2,3-dihydro-1H-indole
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| Structure |
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| Formula |
C13H10BrClN2O2S
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| Molecular Weight |
373.659
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| Canonical SMILES |
Clc1ncc(cc1Br)S(=O)(=O)N1CCc2ccccc12
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| InChI |
InChI=1S/C13H10BrClN2O2S/c14-11-7-10(8-16-13(11)15)20(18,19)17-6-5-9-3-1-2-4-12(9)17/h1-4,7-8H,5-6H2
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| InChIKey |
IHCZZRFPMAHSIS-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01214, Tyrosine-protein kinase JAK2