General Information of the Compound
| Compound ID |
CP0095953
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| Compound Name |
ENZALUTAMIDE
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| Synonyms |
Enzalutamide
Enzalutamide (AR inhibitor)
MDV3100
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| Structure |
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| Formula |
C21H16F4N4O2S
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| Molecular Weight |
464.444
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| Canonical SMILES |
CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)
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| InChIKey |
WXCXUHSOUPDCQV-UHFFFAOYSA-N
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| CAS |
915087-33-1
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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: PT00894, Androgen receptor
Cell-based Assay
Protein ID: PT01486, Androgen receptor
Protein ID: PT00967, Glucocorticoid receptor
Protein ID: PT03564, Prostate-specific antigen
Cell Viability or Cytotoxicity Assay
Clinical Information about the Compound