General Information of the Compound
| Compound ID |
CP0362762
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| Compound Name |
3-amino-N-[(2S)-2-hydroxypropyl]-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridine-2-carboxamide
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| Structure |
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| Formula |
C16H16F3N3O5S
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| Molecular Weight |
419.381
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| Canonical SMILES |
C[C@H](O)CNC(=O)c1ncc(cc1N)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C16H16F3N3O5S/c1-9(23)7-22-15(24)14-13(20)6-12(8-21-14)28(25,26)11-4-2-10(3-5-11)27-16(17,18)19/h2-6,8-9,23H,7,20H2,1H3,(H,22,24)/t9-/m0/s1
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| InChIKey |
UMOGNCVNHXWFIX-VIFPVBQESA-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