General Information of the Compound
| Compound ID |
CP0373706
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| Compound Name |
3-(2-bromo-phenylamino)-7-nitro-1,1-dioxo-1,4-dihydro-1lambda6-benzo[1,2,4]thiadiazin-5-ol
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| Structure |
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| Formula |
C13H9BrN4O5S
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| Molecular Weight |
413.209
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| Canonical SMILES |
Oc1cc(cc2c1N=C(Nc1ccccc1Br)NS2(=O)=O)[N+]([O-])=O
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| InChI |
InChI=1S/C13H9BrN4O5S/c14-8-3-1-2-4-9(8)15-13-16-12-10(19)5-7(18(20)21)6-11(12)24(22,23)17-13/h1-6,19H,(H2,15,16,17)
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| InChIKey |
YKEVWJLHADDVBF-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: PT01304, C-X-C chemokine receptor type 1
Protein ID: PT01013, C-X-C chemokine receptor type 2