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Details

Stereochemistry RACEMIC
Molecular Formula C18H22F2N4O.ClH
Molecular Weight 384.851
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMY-14802 HYDROCHLORIDE

SMILES

Cl.OC(CCCN1CCN(CC1)C2=NC=C(F)C=N2)C3=CC=C(F)C=C3

InChI

InChIKey=NIBVEFRJDFVQLM-UHFFFAOYSA-N
InChI=1S/C18H22F2N4O.ClH/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18;/h3-6,12-13,17,25H,1-2,7-11H2;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H22F2N4O
Molecular Weight 348.3903
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: Q99720|||Q7Z653
Gene ID: 10280.0
Gene Symbol: SIGMAR1
Target Organism: Homo sapiens (Human)
265.0 nM [Ki]
Target ID: Q5BJF2
Gene ID: 27346.0
Gene Symbol: TMEM97
Target Organism: Homo sapiens (Human)
391.0 nM [Ki]
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:28:51 GMT 2023
Edited
by admin
on Fri Dec 15 15:28:51 GMT 2023
Record UNII
14F9C3J43Y
Record Status Validated (UNII)
Record Version
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Name Type Language
BMY-14802 HYDROCHLORIDE
Common Name English
BMY-14802-1
Code English
Code System Code Type Description
EPA CompTox
DTXSID10909595
Created by admin on Fri Dec 15 15:28:51 GMT 2023 , Edited by admin on Fri Dec 15 15:28:51 GMT 2023
PRIMARY
FDA UNII
14F9C3J43Y
Created by admin on Fri Dec 15 15:28:51 GMT 2023 , Edited by admin on Fri Dec 15 15:28:51 GMT 2023
PRIMARY
CAS
105565-55-7
Created by admin on Fri Dec 15 15:28:51 GMT 2023 , Edited by admin on Fri Dec 15 15:28:51 GMT 2023
PRIMARY
PUBCHEM
3086514
Created by admin on Fri Dec 15 15:28:51 GMT 2023 , Edited by admin on Fri Dec 15 15:28:51 GMT 2023
PRIMARY
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