General Information of the Compound
| Compound ID |
CP0374575
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| Compound Name |
6-amino-N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
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| Structure |
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| Formula |
C21H16F2N4O3S
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| Molecular Weight |
442.447
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| Canonical SMILES |
Nc1cc2[nH]c(cc2cn1)C(=O)NCc1ccc(cc1)S(=O)(=O)c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C21H16F2N4O3S/c22-14-6-15(23)8-17(7-14)31(29,30)16-3-1-12(2-4-16)10-26-21(28)19-5-13-11-25-20(24)9-18(13)27-19/h1-9,11,27H,10H2,(H2,24,25)(H,26,28)
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| InChIKey |
MSPWJLUVCJZGRW-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