Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L4TF3X
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| Ligand Name |
US10457669, Example 992
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| Synonyms |
(2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-2-oxidanyl-ethyl]propanamide; CHEMBL4856124; SCHEMBL18766008; BDBM418226; US10457669, Example 992; (2R)-2-(6-{5-chloro-2-[(oxan-4- yl)amino]pyrimidin-4-yl}-1-oxo-2,3- dihydro-1H-isoindol-2-yl)-N-[(1S)-2- hydroxy-1-[6-(4-methylpiperazin-1- yl)pyridin-2-yl]ethyl]propanamide
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| Structure |
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Download2D MOL |
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| Formula |
C32H39ClN8O4
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| Canonical SMILES |
CC(C(=O)NC(CO)C1=NC(=CC=C1)N2CCN(CC2)C)N3CC4=C(C3=O)C=C(C=C4)C5=NC(=NC=C5Cl)NC6CCOCC6
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| InChI |
1S/C32H39ClN8O4/c1-20(30(43)37-27(19-42)26-4-3-5-28(36-26)40-12-10-39(2)11-13-40)41-18-22-7-6-21(16-24(22)31(41)44)29-25(33)17-34-32(38-29)35-23-8-14-45-15-9-23/h3-7,16-17,20,23,27,42H,8-15,18-19H2,1-2H3,(H,37,43)(H,34,35,38)/t20-,27-/m1/s1
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| InChIKey |
FOWKCJGRLFZWNL-NFQMXDRXSA-N
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| PubChem Compound ID | ||||
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