기본 정보
- CAS
442548-99-4- 표준 SMILES
CCC(=O)N1CCN(c2ccc(NC(=O)c3cc(=O)c4cc(F)cc(N5CCN(C)CC5)c4o3)cc2)CC1- InChIKey
CKBARMWSFIJZTL-UHFFFAOYSA-N- 분자식
- C28H32FN5O4
- 평균 분자량
- 521.6 g/mol
- 단동위원소 질량
- 521.24383268
이름 및 식별자
- 우선 이름
- Azd-1134
- IUPAC
- 6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-[4-(4-propanoylpiperazin-1-yl)phenyl]chromene-2-carboxamide
이름 및 동의어
AZD-1134GR7FP8T3TF442548-99-4AZD1134ZM-5498654H-1-Benzopyran-2-carboxamide, 6-fluoro-8-(4-methyl-1-piperazinyl)-4-oxo-N-(4-(4-(1-oxopropyl)-1-piperazinyl)phenyl)-6-Fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-4H-chromene-2-carboxylic acid (4-(4-propionylpiperazin-1-yl)phenyl)amide6-Fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-(4-(4-propanoylpiperazin-1-yl)phenyl)chromene-2-carboxamideRefChem:115985CHEMBL602674UNII-GR7FP8T3TForb3027865
이름 더 보기
SCHEMBL4251105CKBARMWSFIJZTL-UHFFFAOYSA-NBDBM50306588DB-383737T2073176-Fluoro-8-(4-methyl-1-piperazinyl)-4-oxo-N-[4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-4H-1-benzopyran-2-carboxamide6-Fluoro-8-(4-methyl-piperazin-1-yl)-4-oxo-4H-chromene-2-carboxylic acid [4-(4-propionyl-piperazin-1-yl)-phenyl]-amide6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-(4-(4-propionylpiperazin-1-yl)phenyl)-4H-chromene-2-carboxamide
데이터베이스 식별자
- CAS
442548-99-4- PubChem CID
- 9830790
- ChEMBL
CHEMBL602674- UNII
- GR7FP8T3TF
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 85.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 907
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