General Information of the Compound
| Compound ID |
CP0022008
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| Compound Name |
tert-butyl 6-[2-chloro-4-(dimethylsulfamoyl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
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| Structure |
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| Formula |
C24H27ClN6O4S
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| Molecular Weight |
531.038
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| Canonical SMILES |
CN(C)S(=O)(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
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| InChI |
InChI=1S/C24H27ClN6O4S/c1-24(2,3)35-23(32)31-20(16-13-27-30(6)14-16)9-15-12-26-22(11-21(15)31)28-19-8-7-17(10-18(19)25)36(33,34)29(4)5/h7-14H,1-6H3,(H,26,28)
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| InChIKey |
MRBRINFRDVMILA-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