HIT ID: HIT218848780
Cas No: 2378257-72-6
分子式: C51H53ClFN9O7
分子量: 958.49
常用名: PROTAC KRAS G12C degrader-2
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 5-[4-({4-[(2R)-2-{[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-[4-(prop-2-enoyl)piperazin-1-yl]quinazolin-2-yl]oxy}propyl]piperazin-1-yl}methyl)piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione
IUPAC: 5-[4-({4-[(2R)-2-{[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-[4-(prop-2-enoyl)piperazin-1-yl]quinazolin-2-yl]oxy}propyl]piperazin-1-yl}methyl)piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione
SMILES: C[C@H](CN1CCN(CC2CCN(CC2)c2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)CC1)Oc1nc(N2CCN(CC2)C(=O)C=C)c2cc(Cl)c(c(F)c2n1)-c1cc(O)cc2ccccc12
SMILES: C[C@H](CN1CCN(CC2CCN(CC2)c2ccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c3c2)CC1)Oc1nc(N2CCN(CC2)C(=O)C=C)c2cc(Cl)c(c(F)c2n1)-c1cc(O)cc2ccccc12
InChI key: KZQITCSEFGTWRQ-OWAVIYFHSA-N
