(R)-3-[[[2-(3-[[(tert-Butyldimethylsilyl)oxy]methyl]-4-hydroxyphenyl]-2-hydroxyethyl]amino]methyl]-N-[[1,6-diethyl-4-[(tetrahydro-2H-pyran-4-yl)amino]-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl]benzamide (HCID 58505276)

기본 정보

표준 SMILES: CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(CNC[C@H](O)c2ccc(O)c(CO[Si](C)(C)C(C)(C)C)c2)c1
InChIKey: IVIQTBIKOOAPGX-DHUJRADRSA-N
분자식: C39H56N6O5Si
평균 분자량: 717 g/mol

이름 및 식별자

우선 이름: (R)-3-[[[2-(3-[[(tert-Butyldimethylsilyl)oxy]methyl]-4-hydroxyphenyl]-2-hydroxyethyl]amino]methyl]-N-[[1,6-diethyl-4-[(tetrahydro-2H-pyran-4-yl)amino]-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl]benzamide
IUPAC: 3-[[[(2R)-2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyphenyl]-2-hydroxyethyl]amino]methyl]-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]benzamide

이름 및 동의어

SCHEMBL1315327IVIQTBIKOOAPGX-DHUJRADRSA-N(R)-3-[[[2-(3-[[(tert-Butyldimethylsilyl)oxy]methyl]-4-hydroxyphenyl]-2-hydroxyethyl]amino]methyl]-N-[[1,6-diethyl-4-[(tetrahydro-2H-pyran-4-yl)amino]-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl]benzamide

데이터베이스 식별자

PubChem CID: 58505276

물성

구조 계산 물성

극성 표면적: 143 Å²
수소 결합 공여자 수: 5
수소 결합 수용자 수: 9
회전 가능 결합 수: 16
무거운 원자 수: 51
형식 전하: 0
복잡도: 1,080

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