Pyridine-2-carboxylic acid {3-[(3-{2-[2-(4-hydroxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzyl)-methanesulfonyl-amino]-propyl)-amide (HCID 58603693)

기본 정보

표준 SMILES: CS(=O)(=O)N(CCCNC(=O)c1ccccn1)Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1
InChIKey: JSEVAVJWFAQYKA-UHFFFAOYSA-N
분자식: C29H32N6O4S
평균 분자량: 560.7 g/mol

이름 및 식별자

우선 이름: Pyridine-2-carboxylic acid {3-[(3-{2-[2-(4-hydroxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzyl)-methanesulfonyl-amino]-propyl)-amide
IUPAC: N-[3-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]propyl]pyridine-2-carboxamide

이름 및 동의어

Pyridine-2-carboxylic acid {3-[(3-{2-[2-(4-hydroxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzyl)-methanesulfonyl-amino]-propyl)-amidePyridine-2-carboxylic acid {3-[(3-{2-[2-(4-hydroxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzyl)-methanesulfonyl-amino]-propyl}-amideSCHEMBL12344163JSEVAVJWFAQYKA-UHFFFAOYSA-N

데이터베이스 식별자

PubChem CID: 58603693

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 146 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 9
회전 가능 결합 수: 13
무거운 원자 수: 40
형식 전하: 0
복잡도: 863

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