4-(2-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino}-6-[4-(2-methyl-thiazol-4-ylmethyl)-piperazin-1-yl]-[1,3,5]triazin-2-ylamino}-ethyl)-phenol

HCID 10282029
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기본 정보

표준 SMILES
Cc1nc(CN2CCN(c3nc(NCCc4ccc(O)cc4)nc(N(C)CCCc4ccc(Cl)cc4)n3)CC2)cs1
InChIKey
PVIFHDOPIPOZGE-UHFFFAOYSA-N
분자식
C30H37ClN8OS
평균 분자량
593.2 g/mol

이름 및 식별자

우선 이름
4-(2-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino}-6-[4-(2-methyl-thiazol-4-ylmethyl)-piperazin-1-yl]-[1,3,5]triazin-2-ylamino}-ethyl)-phenol
IUPAC
4-[2-[[4-[3-(4-chlorophenyl)propyl-methylamino]-6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]ethyl]phenol

이름 및 동의어

CHEMBL434502SCHEMBL6334144PVIFHDOPIPOZGE-UHFFFAOYSA-NBDBM501216044-(2-{4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino}-6-[4-(2-methyl-thiazol-4-ylmethyl)-piperazin-1-yl]-[1,3,5]triazin-2-ylamino}-ethyl)-phenol4-{2-[(4-[[3-(4-chlorophenyl)propyl](methyl)amino]-6-{4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-piperazinyl}-1,3,5-triazin-2-yl)amino]ethyl}phenol

데이터베이스 식별자

PubChem CID
10282029
ChEMBL
CHEMBL434502

물성

구조 계산 물성

XLogP
6.5
극성 표면적
122 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
10
회전 가능 결합 수
12
무거운 원자 수
41

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