5-(11-fluoro-6-(2-(3-fluoroazetidin-1-yl)ethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-(N-methylmethylsulfonamido)-2-(6-methylpyridin-3-yl)benzofuran-3-carboxamide

HCID 90341047
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기본 정보

표준 SMILES
CNC(=O)c1c(-c2ccc(C)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3C(CCN3CC(F)C3)C4)cc12
InChIKey
LTJXYYUXZWKIDA-UHFFFAOYSA-N
분자식
C38H36F2N6O4S
평균 분자량
710.8 g/mol
단동위원소 질량
710.24868115

이름 및 식별자

우선 이름
5-(11-fluoro-6-(2-(3-fluoroazetidin-1-yl)ethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-(N-methylmethylsulfonamido)-2-(6-methylpyridin-3-yl)benzofuran-3-carboxamide
IUPAC
5-[11-fluoro-6-[2-(3-fluoroazetidin-1-yl)ethyl]-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-methyl-3-pyridinyl)-1-benzofuran-3-carboxamide

이름 및 동의어

CHEMBL3976190SCHEMBL15951101LTJXYYUXZWKIDA-UHFFFAOYSA-NBDBM204743BDBM204748US9243002, 66US9243002, 67US9243002, 685-(11-fluoro-6-(2-(3-fluoroazetidin-1-yl)ethyl)-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-(N-methylmethylsulfonamido)-2-(6-methylpyridin-3-yl)benzofuran-3-carboxamide

데이터베이스 식별자

PubChem CID
90341047
ChEMBL
CHEMBL3976190

물성

구조 계산 물성

XLogP
4.8
극성 표면적
122 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
10
회전 가능 결합 수
8
무거운 원자 수
51

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