기본 정보
- 표준 SMILES
COc1ccccc1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2[nH]1- InChIKey
JIIXGDGLWIDEHT-CLYVBNDRSA-N- 분자식
- C29H33N3O5
- 평균 분자량
- 503.6 g/mol
이름 및 식별자
- 우선 이름
- N-(2-methoxybenzyl)-5-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)ethylamino)propyl)-1H-indole-2-carboxamide
- IUPAC
- 5-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide
이름 및 동의어
CHEMBL236039SCHEMBL4598866JIIXGDGLWIDEHT-CLYVBNDRSA-NBDBM502234285-[(2R)-2-({(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl) phenyl]ethyl}amino)propyl]-N-(2-methoxybenzyl)-1H-indole-2-carboxamide5-[(2R)-2-({(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)propyl]-N-(2-methoxybenzyl)-1H-indole-2-carboxamideN-(2-methoxybenzyl)-5-((R)-2-((R)-2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)ethylamino)propyl)-1H-indole-2-carboxamide
데이터베이스 식별자
- PubChem CID
- 9957764
- ChEMBL
CHEMBL236039
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 127 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 711
관련 반응
2건
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