2-(2-chlorophenyl)-5,7-dihydroxy-8-((2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl)chromen-4-one

HCID 23643976
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기본 정보

표준 SMILES
CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@@H]1CO
InChIKey
QLUYMIVVAYRECT-OCCSQVGLSA-N
분자식
C21H20ClNO5
평균 분자량
401.8 g/mol
단동위원소 질량
401.1030004

이름 및 식별자

우선 이름
2-(2-chlorophenyl)-5,7-dihydroxy-8-((2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl)chromen-4-one
IUPAC
2-(2-chlorophenyl)-5,7-dihydroxy-8-[(2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]chromen-4-one

이름 및 동의어

2-(2-chlorophenyl)-5,7-dihydroxy-8-[(2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]chromen-4-one2-(2-chlorophenyl)-5,7-dihydroxy-8-((2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl)chromen-4-oneRefChem:909147647019-54-3Riviciclib (P276-00)CHEMBL39697234H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(2r,3s)-2-(hydroxymethyl)-1-methyl-3-pyrrolidinyl]-, rel-2-(2-Chlorophenyl)-5,7-dihydroxy-8-((2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl)-4H-chromen-4-oneP276-00 (free base)2-(2-chlorophenyl)-5,7-dihydroxy-8-[(2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4H-chromen-4-oneP-27600 free baseP276-00 free base
이름 더 보기
SCHEMBL665749GTPL7934orb1708665SCHEMBL29777523CHEBI:231364QLUYMIVVAYRECT-OCCSQVGLSA-NBDBM50193086HY-16559A

데이터베이스 식별자

PubChem CID
23643976
ChEMBL
CHEMBL3969723
ChEBI
CHEBI:231364

물성

구조 계산 물성

XLogP
3.3
극성 표면적
90.2 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
6
회전 가능 결합 수
3
무거운 원자 수
28

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