Sb-705498
1-(2-bromophenyl)-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]urea
Molecular Identity
Sb-705498
1-(2-bromophenyl)-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]urea
PubChem CID: 9910486
2D Structure
Properties
C17H16BrF3N4O
Molecular Formula
429.20
Molecular Weight
g/mol
428.0460
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
57.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
493
Complexity
SMILES
Canonical SMILES
SMILES: C1CN(CC1NC(=O)NC2=CC=CC=C2Br)C3=NC=C(C=C3)C(F)(F)FIsomeric SMILES
SMILES: C1CN(C[C@@H]1NC(=O)NC2=CC=CC=C2Br)C3=NC=C(C=C3)C(F)(F)FSynonyms(20)
SB-705498501951-42-4SB705498SB 705498T74V9O0Y2WGSK705498DTXSID20198236UREA, N-(2-BROMOPHENYL)-N'-((3R)-1-(5-(TRIFLUOROMETHYL)-2-PYRIDINYL)-3-PYRROLIDINYL)-Urea, N-(2-bromophenyl)-N'-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]-3-pyrrolidinyl]-RefChem:181583DTXCID50120727(R)-1-(2-bromophenyl)-3-(1-(5-(trifluoromethyl)pyridin-2-yl)pyrrolidin-3-yl)urea1-(2-bromophenyl)-3-[(3R)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]ureaMFCD13152399SCHEMBL1350298
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Sb-705498
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