CDK9-IN-29
HIT217583633
sdf文件结构编辑类似物检索
HIT ID: HIT217583633
Cas No: 2737262-24-5
分子式: C29H33F2N5O4
分子量: 553.611
常用名: CDK9-IN-29
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3,22-difluoro-N-[2-(morpholin-4-yl)ethyl]-13,20-dioxa-5,7,27-triazatetracyclo[19.3.1.1^{2,6}.1^{8,12}]heptacosa-1(24),2,4,6,8,10,12(26),21(25),22-nonaene-11-carboxamide
IUPAC: 3,22-difluoro-N-[2-(morpholin-4-yl)ethyl]-13,20-dioxa-5,7,27-triazatetracyclo[19.3.1.1^{2,6}.1^{8,12}]heptacosa-1(24),2,4,6,8,10,12(26),21(25),22-nonaene-11-carboxamide
SMILES: FC1=C2NC(N=C1)=Nc1ccc(C(=O)NCCN3CCOCC3)c(OCCCCCCOc3cc2ccc3F)c1
SMILES: FC1=C2NC(N=C1)=Nc1ccc(C(=O)NCCN3CCOCC3)c(OCCCCCCOc3cc2ccc3F)c1
InChI key: VZRBGAXSPYVRRB-UHFFFAOYSA-N
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