Jtp-70902
기본 정보
- CAS
871696-49-0- 표준 SMILES
Cn1c(=O)cc(Nc2ccc(Br)cc2F)c2c(=O)n(C3CC3)c(=O)n(-c3cccc(NS(C)(=O)=O)c3)c21- InChIKey
PDRPNIUQNAWRSA-UHFFFAOYSA-N- 분자식
- C24H21BrFN5O5S
- 평균 분자량
- 590.4 g/mol
- 단동위원소 질량
- 589.04308
개요
a protein kinase inhibitor and antineoplastic agent; structure in first source
이름 및 식별자
- 우선 이름
- Jtp-70902
- IUPAC
- N-[3-[5-(4-bromo-2-fluoroanilino)-3-cyclopropyl-8-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-1-yl]phenyl]methanesulfonamide
이름 및 동의어
JTP-70902871696-49-0SD93UQD78TJTP 70902JTP70902N-(3-(5-(4-Bromo-2-fluorophenylamino)-3-cyclopropyl-8-methyl-2,4,7-trioxo-3,4,7,8-tetrahydro-2H-pyrido(2,3-d)pyrimidin-1-yl)phenyl)methanesulfonamideMethanesulfonamide, N-(3-(5-((4-bromo-2-fluorophenyl)amino)-3-cyclopropyl-3,4,7,8-tetrahydro-8-methyl-2,4,7-trioxopyrido(2,3-d)pyrimidin-1(2H)-yl)phenyl)-RefChem:923979UNII-SD93UQD78TN-[3-[5-(4-bromo-2-fluoroanilino)-3-cyclopropyl-8-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-1-yl]phenyl]methanesulfonamideN-{3-[5-(4-bromo-2-fluoro-phenylamino)-3-cyclopropyl-8-methyl-2,4,7-trioxo-3,4,7,8-tetrahydro-2H-pyrido[2,3-d]pyrimidin-1-yl]phenyl}-methanesulfonamideN-{3-[5-(4-bromo-2-fluoro-phenylamino}-3-cyclopropyl-8-methyl-2,4,7-trioxo-3,4,7,8-tetrahydro-2H-pyrido[2,3-d]pyrimidin-1-yl]phenyl)-methanesulfonamide
이름 더 보기
orb1703313SCHEMBL1418912SCHEMBL29695847PDRPNIUQNAWRSA-UHFFFAOYSA-NAKOS040745912DA-74687N-(3-(5-((4-bromo-2-fluorophenyl)amino)-3-cyclopropyl-8-methyl-2,4,7-trioxo-3,4,7,8-tetrahydropyrido[2,3-d]pyrimidin-1(2H)-yl)phenyl)methanesulfonamideHY-126048
데이터베이스 식별자
- CAS
871696-49-0- PubChem CID
- 11527186
- UNII
- SD93UQD78T
- Nikkaji
- J2.527.262E
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 128 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 1,170
관련 반응
3건
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