rezvilutamide   Click here for help

GtoPdb Ligand ID: 12798

Synonyms: Ariane® | example 44 [WO2014036897A1] | SHR-3680 | SHR3680
Approved drug
rezvilutamide is an approved drug (China NMPA (2022))
Compound class: Synthetic organic
Comment: Rezvilutamide is an oral, nonsteroidal androgen receptor antagonist [3].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 129.12
Molecular weight 479.47
XLogP 1.41
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC1(C)C(=O)N(C2=CC=C(C#N)C(=C2)C(F)(F)F)C(=S)N1C3=CC=C(C=C3)OC[C@H](CO)O
Isomeric SMILES CC1(C(=O)N(C(=S)N1C2=CC=C(C=C2)OC[C@H](CO)O)C3=CC(=C(C=C3)C#N)C(F)(F)F)C
InChI InChI=1S/C22H20F3N3O4S/c1-21(2)19(31)27(15-4-3-13(10-26)18(9-15)22(23,24)25)20(33)28(21)14-5-7-17(8-6-14)32-12-16(30)11-29/h3-9,16,29-30H,11-12H2,1-2H3/t16-/m0/s1
InChI Key KRBMOYIWQCZVHA-INIZCTEOSA-N