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Details

Stereochemistry ACHIRAL
Molecular Formula C26H31N3O2.ClH
Molecular Weight 454.004
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BP-897

SMILES

Cl.COC1=CC=CC=C1N2CCN(CCCCNC(=O)C3=CC=C4C=CC=CC4=C3)CC2

InChI

InChIKey=KFWJGUZIZAPFMX-UHFFFAOYSA-N
InChI=1S/C26H31N3O2.ClH/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23;/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30);1H

HIDE SMILES / InChI

Molecular Formula C26H31N3O2
Molecular Weight 417.5432
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
0.92 nM [Ki]
61.0 nM [Ki]
3.0 µM [Ki]
0.3 µM [Ki]

PubMed

Substance Class Chemical
Record UNII
20PLE5W821
Record Status Validated (UNII)
Record Version