AYK004-C1
HIT219136717
sdf文件结构编辑类似物检索
HIT ID: HIT219136717
Cas No: 3031612-92-4
分子式: C35H58F3N7O3
分子量: 681.89
常用名: AYK004-C1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 6-amino-9-(5-{4-[(9Z)-octadec-9-enoyl]piperazin-1-yl}pentyl)-2-[(1,1,1-trifluoropropan-2-yl)oxy]-8,9-dihydro-7H-purin-8-one
IUPAC: 6-amino-9-(5-{4-[(9Z)-octadec-9-enoyl]piperazin-1-yl}pentyl)-2-[(1,1,1-trifluoropropan-2-yl)oxy]-8,9-dihydro-7H-purin-8-one
SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)N1CCN(CCCCCn2c3nc(OC(C)C(F)(F)F)nc(N)c3[nH]c2=O)CC1
SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)N1CCN(CCCCCn2c3nc(OC(C)C(F)(F)F)nc(N)c3[nH]c2=O)CC1
InChI key: RNMUVDXGPTZBCT-KHPPLWFESA-N
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