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Chemical structure of PD 176252

GC13768

PD 176252

Also known as (2S)-3-(1H-indol-3-yl)-N-[[1-(5-methoxy-2-pyridinyl)cyclohexyl]methyl]-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide

gastrin-releasing peptide receptor (GRP-R, BB2) and neuromedin B receptor (NMB-R, BB1) antagonist

ChemicalCAS204067-01-6MW584.67FormulaC32H36N6O5
CAS number
204067-01-6
Molecular weight
584.67
Formula
C32H36N6O5
Solubility
＜58·47mg/ml in DMSO
InChIKey
NNFUWNLENRUDHR-HKBQPEDESA-N
Catalogue number
GC13768
Brand
GLPBIO
Computed properties PubChem CID 9829828 · XLogP 5.2 · TPSA 154 Ų · H-bond donors 4
XLogP
5.2
TPSA
154 Ų
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
43

SMILES C[C@](CC1=CNC2=CC=CC=C21)(C(=O)NCC3(CCCCC3)C4=NC=C(C=C4)OC)NC(=O)NC5=CC=C(C=C5)[N+](=O)[O-]

Computed descriptors from PubChem (CID 9829828), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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