4-(2,3-diaminophenyl)carbonylamino-3-methoxy-N-methyl-N-[4-methyl-2-[5-(4-methylpiperazin-1-yl)carbonylpent-1-yloxy]phenyl]benzamide

HCID 18354794

기본 정보

표준 SMILES
COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc(N)c1N
InChIKey
CNTGUYPMHOFYAA-UHFFFAOYSA-N
분자식
C34H44N6O5
평균 분자량
616.7 g/mol

이름 및 식별자

우선 이름
4-(2,3-diaminophenyl)carbonylamino-3-methoxy-N-methyl-N-[4-methyl-2-[5-(4-methylpiperazin-1-yl)carbonylpent-1-yloxy]phenyl]benzamide
IUPAC
2,3-diamino-N-[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]phenyl]benzamide

이름 및 동의어

SCHEMBL7479643CNTGUYPMHOFYAA-UHFFFAOYSA-N4-(2,3-diaminobenzoyl)amino-3-methoxy-N-methyl-N-[4-methyl-2-[5(4-methylpiperazin-1-yl)carbonylpent-1-yloxy]phenyl]benzamide4-(2,3-diaminobenzoyl)amino-3-methoxy-N-methyl-N-[4-methyl-2-[5-(4-methylpiperazin-1-yl)carbonylpent-1-yloxy]phenyl]benzamide4-(2,3-diaminophenyl)carbonylamino-3-methoxy-N-methyl-N-[4-methyl-2-[5-(4-methylpiperazin-1-yl)carbonylpent-1-yloxy]phenyl]benzamide

데이터베이스 식별자

PubChem CID
18354794

물성

구조 계산 물성

XLogP
3.6
극성 표면적
143 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
8
회전 가능 결합 수
12
무거운 원자 수
45

관련 반응

25건

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