기본 정보
- 표준 SMILES
COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccnc(OCc3ncccn3)c2c(=O)n1Cc1ccnc(C)c1- InChIKey
JEMJAABFSYOLAP-UHFFFAOYSA-N- 분자식
- C31H29N5O7
- 평균 분자량
- 583.6 g/mol
- 단동위원소 질량
- 583.20669828
개요
2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(2-pyrimidinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylic acid methyl ester is a naphthyridine derivative.
이름 및 식별자
- 우선 이름
- T0156
- IUPAC
- methyl 2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(pyrimidin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylate
이름 및 동의어
t-0156T0156methyl 2-[(2-methylpyridin-4-yl)methyl]-1-oxo-8-(pyrimidin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydro-2,7-naphthyridine-3-carboxylateDTXSID401045746Methyl 2-((2-methylpyridin-4-yl)methyl)-1-oxo-8-(pyrimidin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydro-2,7-naphthyridine-3-carboxylateRefChem:187070DTXCID501527674324572-92-11,2-Dihydro-2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(2-pyrimidinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylic acid methyl ester hydrochloridemethyl 2-[(2-methylpyridin-4-yl)methyl]-1-oxo-8-(pyrimidin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylateCHEMBL540294NCGC00016057-01
이름 더 보기
Tocris-1676T-0156 free baseLopac-T-8067Lopac0_001212SCHEMBL687326GTPL5275orb1945046CHEMBL1190161
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 135 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 978
관련 반응
0건
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