기본 정보
- CAS
400797-24-2- 표준 SMILES
Cn1c(=O)n(C2CCN(CCCn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(S(C)(=O)=O)C4)CC2)c2cc(Cl)ccc21- InChIKey
NVAHQQYCEWEDKM-UHFFFAOYSA-N- 분자식
- C30H34ClF3N6O3S
- 평균 분자량
- 651.1 g/mol
- 단동위원소 질량
- 650.2053723
이름 및 식별자
- 우선 이름
- Jnj-10329670
- IUPAC
- 5-chloro-1-methyl-3-[1-[3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]benzimidazol-2-one
- 영어명
- JNJ 10329670
- 분자식
- C30H34ClF3N6O3S
- 분자량
- 651.14
이름 및 동의어
JNJ-10329670400797-24-2UNII-2HVJ5O3FV31H-Pyrazolo(4,3-C)pyridine, 1-(3-(4-(6-chloro-2,3-dihydro-3-methyl-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl)propyl)-4,5,6,7-tetrahydro-5-(methylsulfonyl)-3-(4-(trifluoromethyl)phenyl)-2HVJ5O3FV32H-Benzimidazol-2-one, 5-chloro-1,3-dihydro-1-methyl-3-(1-(3-(4,5,6,7-tetrahydro-5-(methylsulfonyl)-3-(4-(trifluoromethyl)phenyl)-1H-pyrazolo(4,3-C)pyridin-1-yl)propyl)-4-piperidinyl)-5-Chloro-3-(1-(3-(5-methanesulfonyl-3-(4-trifluoromethylphenyl)-4,5,6,7-tetrahydropyrazolo(4,3-C)pyridin-1-yl)propyl)piperidin-4-yl)-1-methyl-1,3-dihydrobenzimidazol-2-oneRefChem:150518JNJ 10329670CHEMBL3606655-chloro-1-methyl-3-[1-[3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]benzimidazol-2-oneNVAHQQYCEWEDKM-UHFFFAOYSA-N
이름 더 보기
JNJ10329670,JNJ 103296702H-Benzimidazol-2-one, 5-chloro-1,3-dihydro-1-methyl-3-[1-[3-[4,5,6,7-tetrahydro-5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-1-yl]propyl]-4-piperidinyl]-
orb1700294SCHEMBL2226968SCHEMBL29571699BDBM50162827AKOS040748615HY-123531CS-0082923T27661
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 90.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,130
물리화학적 성질
- 끓는 점
- 752 · 752.0±70.0 °C(Predicted)
- 밀도
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.76 · 8.76±0.10(Predicted)
화학 및 산업
공급사6 곳
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海碧咸医药科技有限公司13816613772 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
合肥孚亚生物技术有限公司18096409024 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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