S-55746
N-(4-hydroxyphenyl)-3-[6-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
Molecular Identity
S-55746
N-(4-hydroxyphenyl)-3-[6-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
PubChem CID: 71654876
2D Structure
Properties
C43H42N4O6
Molecular Formula
710.80
Molecular Weight
g/mol
710.3104
Exact Mass
Da
5.8
XLogP
Above Lipinski threshold
96.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
1250
Complexity
SMILES
Canonical SMILES
SMILES: C1CCN2C(=C(C=C2C3=CC4=C(C=C3C(=O)N5CC6=CC=CC=C6CC5CN7CCOCC7)OCO4)C(=O)N(C8=CC=CC=C8)C9=CC=C(C=C9)O)C1Isomeric SMILES
SMILES: C1CCN2C(=C(C=C2C3=CC4=C(C=C3C(=O)N5CC6=CC=CC=C6C[C@H]5CN7CCOCC7)OCO4)C(=O)N(C8=CC=CC=C8)C9=CC=C(C=C9)O)C1Synonyms(20)
s557461448584-12-0BCL-201S-55746BCL201W93257I68I(S)-N-(4-hydroxyphenyl)-3-(6-(3-(morpholinomethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzo[d][1,3]dioxol-5-yl)-N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide(S)-N-(4-Hydroxyphenyl)-3-(6-(3-(morpholinomethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzo(d)(1,3)dioxol-5-yl)-N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamideS 055746S-055746Servier 1Servier-1RefChem:180613BCL-2 INHIBITOR BCL201S 55746
Data from PubChem (NCBI)
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