Laniquidar
기본 정보
- CAS
197509-46-9- 표준 SMILES
COC(=O)c1cnc2n1CCc1ccccc1C2=C1CCN(CCc2ccc(OCc3ccc4ccccc4n3)cc2)CC1- InChIKey
TULGGJGJQXESOO-UHFFFAOYSA-N- 분자식
- C37H36N4O3
- 평균 분자량
- 584.7 g/mol
- 단동위원소 질량
- 584.27874102
개요
Laniquidar has been used in trials studying the treatment of Breast Cancer.
이름 및 식별자
- 우선 이름
- Laniquidar
- IUPAC
- methyl 11-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]piperidin-4-ylidene]-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carboxylate
- 영어명
- Laniquidar
- 분자식
- C37H36N4O3
- 분자량
- 584.71
이름 및 동의어
Laniquidar197509-46-9K3FRN4DDOYmethyl 11-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]piperidin-4-ylidene]-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carboxylateDTXSID10173436R-101933laniquidarummethyl 11-(1-(2-(4-(quinolin-2-ylmethoxy)phenyl)ethyl)piperidin-4-ylidene)-5,6-dihydroimidazo(2,1-b)(3)benzazepine-3-carboxylateRefChem:152258DTXCID9095927methyl 2-(1-(2-(4-((quinolin-2-yl)methoxy)phenyl)ethyl)piperidin-4-ylidene)-4,7-diazatricyclo(8.4.0.0^(3,7))tetradeca-1(14),3,5,10,12-pentaene-6-carboxylateR101933
이름 더 보기
R 101933R 1019335H-Imidazo[2,1-b][3]benzazepine-3-carboxylic acid, 6,11-dihydro-11-[1-[2-[4-(2-quinolinylmethoxy)phenyl]ethyl]-4-piperidinylidene]-, methyl ester
Laniquidar [INN]11C-laniquidarmethyl 11-(1-(4-(quinolin-2-ylmethoxy)phenethyl)piperidin-4-ylidene)-6,11-dihydro-5H-benzo[d]imidazo[1,2-a]azepine-3-carboxylateMethyl 6,11-dihydro-11-(1-(2-(4-(-2-quinolylmethoxy)phenyl)ethyl)-4-piperidinylidene)-5H-imidazo(2,1-b)(3)benzazepine-3-carboxylateUNII-K3FRN4DDOYLANIQUIDAR [WHO-DD]CHEMBL539378orb1685907
데이터베이스 식별자
- CAS
197509-46-9- PubChem CID
- 6450806
- DTXSID
DTXSID10173436- ChEMBL
CHEMBL539378- UNII
- K3FRN4DDOY
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 69.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 985
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 끓는 점
- 793.1 · 793.1±70.0 °C(Predicted)
- 밀도
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.46 · 8.46±0.20(Predicted)
관련 반응
7건
화합물 노트
불러오는 중…