MK-0736

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National Institutes of Health Divider Arrow

NCATS

Investigational

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H30F3N3O2S
Molecular Weight	469.563
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of MK-0736

Structure Search

SMILES

CCS(=O)(=O)CCCC12CCC(CC1)(CC2)C3=NN=C(N3C)C4=CC=CC=C4C(F)(F)F

InChI

InChIKey=ORQZQBUNAMJFCY-UHFFFAOYSA-N

InChI=1S/C23H30F3N3O2S/c1-3-32(30,31)16-6-9-21-10-13-22(14-11-21,15-12-21)20-28-27-19(29(20)2)17-7-4-5-8-18(17)23(24,25)26/h4-5,7-8H,3,6,9-16H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C23H30F3N3O2S
Molecular Weight	469.563
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:53:20 GMT 2025` Edited by `admin` on `Mon Mar 31 19:53:20 GMT 2025`
Record UNII	9RT16RBU2Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MK0736

Preferred Name

English

MK-0736

Common Name

English

3-(4-(3-(ETHYLSULFONYL)PROPYL)BICYCLO(2.2.2)OCT-1-YL-4-METHYL-5-(2-(TRIFLUOROMETHYL)PHENYL)-4H-1,2,4-TRIAZOLE

Systematic Name

English

4H-1,2,4-TRIAZOLE, 3-(4-(3-(ETHYLSULFONYL)PROPYL)BICYCLO(2.2.2)OCT-1-YL)-4-METHYL-5-(2-(TRIFLUOROMETHYL)PHENYL)-

Systematic Name

English

Code System Code Type Description

CAS

719272-79-4

Created by admin on Mon Mar 31 19:53:20 GMT 2025 , Edited by admin on Mon Mar 31 19:53:20 GMT 2025

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FDA UNII

9RT16RBU2Y

Created by admin on Mon Mar 31 19:53:20 GMT 2025 , Edited by admin on Mon Mar 31 19:53:20 GMT 2025

PRIMARY

DRUG BANK

DB15209

Created by admin on Mon Mar 31 19:53:20 GMT 2025 , Edited by admin on Mon Mar 31 19:53:20 GMT 2025

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PUBCHEM

22591684

Created by admin on Mon Mar 31 19:53:20 GMT 2025 , Edited by admin on Mon Mar 31 19:53:20 GMT 2025

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SMS_ID

300000041412

Created by admin on Mon Mar 31 19:53:20 GMT 2025 , Edited by admin on Mon Mar 31 19:53:20 GMT 2025

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EPA CompTox

DTXSID401352383

Created by admin on Mon Mar 31 19:53:20 GMT 2025 , Edited by admin on Mon Mar 31 19:53:20 GMT 2025

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Interaction Type:

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Qualification:

IC50

Amount:

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