Canocapavir
기본 정보
- CAS
2137847-19-7- 표준 SMILES
O=C1CO[C@H](c2cn(-c3ccc(Br)cc3)nc2-c2ccc(F)cc2)N1CCc1ccc2[nH]c(=O)[nH]c2c1- InChIKey
YGPZZDKSASSELG-AREMUKBSSA-N- 분자식
- C27H21BrFN5O3
- 평균 분자량
- 562.4 g/mol
- 단동위원소 질량
- 561.08118
개요
Canocapavir is a small molecule drug. The usage of the INN stem '-capavir' in the name indicates that Canocapavir is a viral capsid and nucleocapsid inhibitor. Canocapavir has a monoisotopic molecular weight of 561.08 Da.
이름 및 식별자
- 우선 이름
- Canocapavir
- IUPAC
- (2R)-2-[1-(4-bromophenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-oxazolidin-4-one
- 영어명
- 2H-Benzimidazol-2-one, 5-[2-[(2R)-2-[1-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-oxo-3-oxazolidinyl]ethyl]-1,3-dihydro-
- 분자식
- C27H21BrFN5O3
- 분자량
- 562.39
이름 및 동의어
Canocapavir2137847-19-7Canocapavir [INN]ITF8H4SZR15-[2-[(2R)-2-[1-(4-Bromophenyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-oxo-3-oxazolidinyl]ethyl]-1,3-dihydro-2H-benzimidazol-2-one(2R)-2-[1-(4-bromophenyl)-3-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-oxazolidin-4-one2H-Benzimidazol-2-one, 5-(2-((2R)-2-(1-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl)-4-oxo-3-oxazolidinyl)ethyl)-1,3-dihydro-5-(2-((2R)-2-(1-(4-Bromophenyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl)-4-oxo-3-oxazolidinyl)ethyl)-1,3-dihydro-2H-benzimidazol-2-one5-(2-((2R)-2-(1-(4-Bromophenyl)-3-(4-fluorophenyl)-1hpyrazol- 4-yl)-4-oxo-1,3-oxazolidin-3-yl)ethyl)-1,3- dihydro-2H-benzimidazol-2-one5-(2-{(2R)-2-[1-(4-bromophenyl)-3-(4-fluorophenyl)-1Hpyrazol- 4-yl]-4-oxo-1,3-oxazolidin-3-yl}ethyl)-1,3- dihydro-2H-benzimidazol-2-oneUNII-ITF8H4SZR1orb1686069
이름 더 보기
ZM-H1505R2H-Benzimidazol-2-one, 5-[2-[(2R)-2-[1-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-oxo-3-oxazolidinyl]ethyl]-1,3-dihydro-
CHEMBL5095093SCHEMBL20718857SCHEMBL31723950DA-71902HY-147255CS-0542309
데이터베이스 식별자
- CAS
2137847-19-7- PubChem CID
- 137477479
- ChEMBL
CHEMBL5095093- UNII
- ITF8H4SZR1
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 88.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 837
물리화학적 성질
- 끓는 점
- 664.5 · 664.5±55.0 °C(Predicted)
- 밀도
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.16 · 12.16±0.30(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
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