General Information of the Compound
| Compound ID |
CP0298816
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| Compound Name |
4-bromo-N-[(3,5-difluorophenyl)methyl]-6-(1,1-dioxothiazinan-2-yl)-3-hydroxypyridine-2-carboxamide
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| Structure |
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| Formula |
C17H16BrF2N3O4S
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| Molecular Weight |
476.299
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| Canonical SMILES |
Oc1c(Br)cc(nc1C(=O)NCc1cc(F)cc(F)c1)N1CCCCS1(=O)=O
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| InChI |
InChI=1S/C17H16BrF2N3O4S/c18-13-8-14(23-3-1-2-4-28(23,26)27)22-15(16(13)24)17(25)21-9-10-5-11(19)7-12(20)6-10/h5-8,24H,1-4,9H2,(H,21,25)
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| InChIKey |
UVYJHWNDILNUCV-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: PT04285, Calcitonin gene-related peptide 1