General Information of the Compound
| Compound ID |
CP0005167
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| Compound Name |
CHEBI:49005
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| Synonyms |
Deferasirox
Exjade
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| Structure |
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| Formula |
C21H15N3O4
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| Molecular Weight |
373.368
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| Canonical SMILES |
OC(=O)c1ccc(cc1)-n1nc(nc1-c1ccccc1O)-c1ccccc1O
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| InChI |
InChI=1S/C21H15N3O4/c25-17-7-3-1-5-15(17)19-22-20(16-6-2-4-8-18(16)26)24(23-19)14-11-9-13(10-12-14)21(27)28/h1-12,25-26H,(H,27,28)
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| InChIKey |
BOFQWVMAQOTZIW-UHFFFAOYSA-N
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| CAS |
201530-41-8
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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: PT05334, ATP-binding cassette sub-family C member 4
Protein ID: PT04542, Bile salt export pump
Protein ID: PT03002, Potassium voltage-gated channel subfamily D member 3
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Clinical Information about the Compound