General Information of the Compound
| Compound ID |
CP0006321
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| Compound Name |
PLX-4032
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| Synonyms |
PLX4032
RG7204
RO5185426
Vemurafenib
Vemurafenib (BRAF inhibitor)
Zelboraf (TN)
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| Structure |
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| Formula |
C23H18ClF2N3O3S
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| Molecular Weight |
489.931
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| Canonical SMILES |
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
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| InChI |
InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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| InChIKey |
GPXBXXGIAQBQNI-UHFFFAOYSA-N
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| CAS |
918504-65-1
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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: PT03462, GTPase KRas
Protein ID: PT05364, Heat shock factor protein 1
Protein ID: PT01059, Mitogen-activated protein kinase kinase kinase 20
Protein ID: PT01116, RAF proto-oncogene serine/threonine-protein kinase
Protein ID: PT03251, Serine/threonine-protein kinase A-Raf
Protein ID: PT01381, Serine/threonine-protein kinase B-raf
Cell-based Assay
Cell Viability or Cytotoxicity Assay
Clinical Information about the Compound