CL-285032

HCID 2737312

노트 반응

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기본 정보

CAS: 108825-65-6
표준 SMILES: CC(=O)N(C)c1cccc(-c2ccc3nnc(C)n3n2)c1
InChIKey: WPAQLESUVYGUJZ-UHFFFAOYSA-N
분자식: C15H15N5O
평균 분자량: 281.31 g/mol
단동위원소 질량: 281.12766012

이름 및 식별자

우선 이름: CL-285032
IUPAC: N-methyl-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
영어명: N-METHYL-N-[3-(3-METHYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YL)PHENYL]ACETAMIDE
분자식: C15H15N5O
분자량: 281.31

이름 및 동의어

108825-65-6WS1R0N3H0NUNII-WS1R0N3H0NCL-285032Acetamide, N-methyl-N-(3-(3-methyl-1,2,4-triazolo(4,3-b)pyridazin-6-yl)phenyl)-RefChem:200209Lin28-let-7 antagonist 1Lin28 1632N-methyl-N-[3-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamideN-Methyl-N-(3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)acetamideLin281632Acetamide,N-methyl-N-[3-(3-methyl-1,2,4-triazolo[4,3-b]pyridazin-6-yl)phenyl]-

이름 더 보기

C1632Lin 28 163Lin28 inhibitor C1632Lin281632, 10 mM in DMSOInhibitor,anxiolytic agent,Huh7 cells,inhibit,22Rv1,Lin281632

N-methyl-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamideMFCD01567008Lin28-IN-1632CHEMBL1733963WPAQLESUVYGUJZ-UHFFFAOYSA-NMaybridge3_006077N-Methyl-N-[3-(3-methyl-1,2,4-triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamideOprea1_603379

데이터베이스 식별자

CAS: 108825-65-6
PubChem CID: 2737312
DTXSID: DTXSID20371981
ChEMBL: CHEMBL1733963
UNII: WS1R0N3H0N

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 63.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 21
형식 전하: 0
복잡도: 390

물리화학적 성질

녹는점: 200 °C · 200 °C
밀도: 1.28 · 1.28±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Store at -20°C
용해도: 28.13 · DMSO:28.13(Max Conc. mg/mL);100.0(Max Conc. mM)Ethanol:28.13(Max Conc. mg/mL);100.0(Max Conc. mM)
물리적 상태: 결정성 고체
산도 계수 (pKa): 0.57 · 0.57±0.30(Predicted)
색상: Off-white to light yellow
InChI: 1S/C15H15N5O/c1-10-16-17-15-8-7-14(18-20(10)15)12-5-4-6-13(9-12)19(3)11(2)21/h4-9H,1-3H3
InChIKey: WPAQLESUVYGUJZ-UHFFFAOYSA-N
SMILES: [n]21nc(ccc2nnc1C)c3cc(ccc3)N(C)C(=O)C