FAPI-46
HIT214323371
sdf文件结构编辑类似物检索
HIT ID: HIT214323371
Cas No: 2374782-04-2
分子式: C41H57F2N11O9
分子量: 885.972
常用名: FAPI-46
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-[4,7-bis(carboxymethyl)-10-{2-[4-(3-{[4-({2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl}carbamoyl)quinolin-6-yl](methyl)amino}propyl)piperazin-1-yl]-2-oxoethyl}-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid
IUPAC: 2-[4,7-bis(carboxymethyl)-10-{2-[4-(3-{[4-({2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl}carbamoyl)quinolin-6-yl](methyl)amino}propyl)piperazin-1-yl]-2-oxoethyl}-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid
SMILES: CN(CCCN1CCN(CC1)C(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1
SMILES: CN(CCCN1CCN(CC1)C(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1
InChI key: SDBGUEFOSXNKBX-HKBQPEDESA-N
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