Molecules/(E)-3-[4-[(1R,3R)-2-(1-Bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3,5-difluorophenyl]prop-2-enoic acid
(E)-3-[4-[(1R,3R)-2-(1-Bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3,5-difluorophenyl]prop-2-enoic acid
(E)-3-[4-[(1R,3R)-2-(1-bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3,5-difluorophenyl]prop-2-enoic acid
Molecular Identity
(E)-3-[4-[(1R,3R)-2-(1-Bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3,5-difluorophenyl]prop-2-enoic acid
(E)-3-[4-[(1R,3R)-2-(1-bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3,5-difluorophenyl]prop-2-enoic acid
PubChem CID: 131979190
2D Structure
Properties
C26H24F2N2O2
Molecular Formula
434.50
Molecular Weight
g/mol
434.1806
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
56.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
761
Complexity
SMILES
Canonical SMILES
SMILES: CC1CC2=C(C(N1C34CC(C3)C4)C5=C(C=C(C=C5F)C=CC(=O)O)F)NC6=CC=CC=C26Isomeric SMILES
SMILES: C[C@@H]1CC2=C([C@H](N1C34CC(C3)C4)C5=C(C=C(C=C5F)/C=C/C(=O)O)F)NC6=CC=CC=C26Synonyms(15)
ZN-C52136606-87-4(E)-3-[4-[(1R,3R)-2-(1-Bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3,5-difluorophenyl]prop-2-enoic acidZNc5A1BHJorb2815503CHEMBL5396619SCHEMBL19428342SCHEMBL29556920GTPL13967GLXC-26203EX-A13706compound F [WO2021216671A1]example 5A [US20210330651A1]T202203
Data from PubChem (NCBI)
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Molecular Structure
(E)-3-[4-[(1R,3R)-2-(1-Bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3,5-difluorophenyl]prop-2-enoic acid
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Drug Network
Trials and conditions connected to (E)-3-[4-[(1R,3R)-2-(1-Bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3,5-difluorophenyl]prop-2-enoic acid
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