Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L9SQ6F
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| Ligand Name |
2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-phenylethyl]ethanamide
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| Synonyms |
CHEMBL4207117; 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-phenylethyl]ethanamide; SCHEMBL18793354; BDBM50456347
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| Structure |
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Download2D MOL |
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| Formula |
C27H28ClN5O3
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| Canonical SMILES |
CC(C1=CC=CC=C1)NC(=O)CN2CC3=C(C2=O)C=C(C=C3)C4=NC(=NC=C4Cl)NC5CCOCC5
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| InChI |
1S/C27H28ClN5O3/c1-17(18-5-3-2-4-6-18)30-24(34)16-33-15-20-8-7-19(13-22(20)26(33)35)25-23(28)14-29-27(32-25)31-21-9-11-36-12-10-21/h2-8,13-14,17,21H,9-12,15-16H2,1H3,(H,30,34)(H,29,31,32)/t17-/m1/s1
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| InChIKey |
IRHJKWVMKNYGNX-QGZVFWFLSA-N
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| PubChem Compound ID | ||||
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