General Information of the Compound
| Compound ID |
CP0567963
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| Compound Name |
3-amino-N-[(1-hydroxycyclopropyl)methyl]-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide
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| Structure |
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| Formula |
C17H16F3N3O5S
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| Molecular Weight |
431.392
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| Canonical SMILES |
Nc1cc(cnc1C(=O)NCC1(O)CC1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C17H16F3N3O5S/c18-17(19,20)28-10-1-3-11(4-2-10)29(26,27)12-7-13(21)14(22-8-12)15(24)23-9-16(25)5-6-16/h1-4,7-8,25H,5-6,9,21H2,(H,23,24)
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| InChIKey |
CERGVLDNFJGDTL-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