N-[3-[2-(2-aminoethylamino)-2-oxoethyl]phenyl]-2-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]acetamide

HCID 16218845
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기본 정보

표준 SMILES
NCCNC(=O)Cc1cccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c1
InChIKey
HVJGNAHENNXYLP-QZHHGCDDSA-N
분자식
C28H32N8O6
평균 분자량
576.6 g/mol
단동위원소 질량
576.24448077

이름 및 식별자

우선 이름
N-[3-[2-(2-aminoethylamino)-2-oxoethyl]phenyl]-2-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]acetamide
IUPAC
N-[3-[2-(2-aminoethylamino)-2-oxoethyl]phenyl]-2-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]acetamide

이름 및 동의어

MLS001056802SMR000326971N-[3-[2-(2-aminoethylamino)-2-oxoethyl]phenyl]-2-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]acetamideCHEMBL1517337BDBM54152cid_16218845HVJGNAHENNXYLP-QZHHGCDDSA-NHMS2234P10MFCD11045962N-[3-[2-(2-aminoethylamino)-2-keto-ethyl]phenyl]-2-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]purin-6-yl]amino]phenyl]acetamideN-[3-[2-(2-aminoethylamino)-2-oxo-ethyl]phenyl]-2-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]phenyl]acetamideN-[3-[2-(2-aminoethylamino)-2-oxoethyl]phenyl]-2-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]amino]phenyl]acetamide
이름 더 보기
N-[3-[2-(2-azanylethylamino)-2-oxidanylidene-ethyl]phenyl]-2-[4-[[9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]phenyl]ethanamide

데이터베이스 식별자

PubChem CID
16218845
ChEMBL
CHEMBL1517337

물성

구조 계산 물성

XLogP
0.2
극성 표면적
210 Ų
수소 결합 공여자 수
7
수소 결합 수용자 수
11
회전 가능 결합 수
11
무거운 원자 수
42

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