기본 정보
- CAS
228258-45-5- 표준 SMILES
NCc1ccccc1-n1nc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1F- InChIKey
TYPXEIGMGZWOGB-UHFFFAOYSA-N- 분자식
- C24H19F4N5O3S
- 평균 분자량
- 533.5 g/mol
- 단동위원소 질량
- 533.11447331
이름 및 식별자
- 우선 이름
- Dpc-602
- IUPAC
- 1-[2-(aminomethyl)phenyl]-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
이름 및 동의어
DPC602dpc-602F6NYW6W9FS228258-45-5RefChem:200736Dpc 602UNII-F6NYW6W9FSCHEMBL1519391-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoylbiphenyl-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide1-(2-(Aminomethyl)phenyl)-N-(2'-(aminosulfonyl)-3-fluoro(1,1'-biphenyl)-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide1H-Pyrazole-5-carboxamide, 1-(2-(aminomethyl)phenyl)-N-(2'-(aminosulfonyl)-3-fluoro(1,1'-biphenyl)-4-yl)-3-(trifluoromethyl)-SCHEMBL14318599
이름 더 보기
TYPXEIGMGZWOGB-UHFFFAOYSA-NBDBM50135945Q274628921-[2-(aminomethyl)phenyl]-N-(3-fluoro-2''-sulfamoylbiphenyl-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide2-(2-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid (3-fluoro-2''-sulfamoyl-biphenyl-4-yl)-amide2-[2-(aminomethyl)phenyl]-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamideM37
데이터베이스 식별자
- CAS
228258-45-5- PubChem CID
- 9915041
- ChEMBL
CHEMBL151939- UNII
- F6NYW6W9FS
- Nikkaji
- J3.708.371B
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 141 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 902
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationEndogenous factors and drugs that inhibit or block the activity of FACTOR XA.
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