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Details

Stereochemistry RACEMIC
Molecular Formula C23H24N2O4
Molecular Weight 392.4477
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PD-102807

SMILES

CCOC(=O)C1=C(C)NC2=C1C3=C(OC4N(CCC5=CC(OC)=CC=C45)C3)C=C2

InChI

InChIKey=VDDUJINYXKGZLV-UHFFFAOYSA-N
InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C23H24N2O4
Molecular Weight 392.4477
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
90.7 nM [IC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:35:48 GMT 2023
Edited
by admin
on Sat Dec 16 17:35:48 GMT 2023
Record UNII
A7U96364HK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PD-102807
Code English
PD-102,807
Code English
ETHYL 3,6A,11,14-TETRAHYDRO-9-METHOXY-2-METHYL-12H-ISOQUINO(1,2-B)PYRROLO(3,2-F)(1,3)BENZOXAZINE-1-CARBOXYLATE
Systematic Name English
12H-ISOQUINO(1,2-B)PYRROLO(3,2-F)(1,3)BENZOXAZINE-1-CARBOXYLIC ACID, 3,6A,11,14-TETRAHYDRO-9-METHOXY-2-METHYL-, ETHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
A7U96364HK
Created by admin on Sat Dec 16 17:35:48 GMT 2023 , Edited by admin on Sat Dec 16 17:35:48 GMT 2023
PRIMARY
PUBCHEM
4995951
Created by admin on Sat Dec 16 17:35:48 GMT 2023 , Edited by admin on Sat Dec 16 17:35:48 GMT 2023
PRIMARY
CAS
23062-91-1
Created by admin on Sat Dec 16 17:35:48 GMT 2023 , Edited by admin on Sat Dec 16 17:35:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID20407355
Created by admin on Sat Dec 16 17:35:48 GMT 2023 , Edited by admin on Sat Dec 16 17:35:48 GMT 2023
PRIMARY
WIKIPEDIA
PD-102,807
Created by admin on Sat Dec 16 17:35:48 GMT 2023 , Edited by admin on Sat Dec 16 17:35:48 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
ANTAGONIST
Related Record Type Details
ACTIVE MOIETY