Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LDM45Y
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| Ligand Name |
2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyanilino]-9-methyl-5,7-dihydropyrimido[5,4-d][1,3]benzodiazepin-6-one
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| Synonyms |
CHEMBL4792672; BDBM50553455
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| Structure |
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Download2D MOL |
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| Formula |
C25H29N7O2
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| Canonical SMILES |
CC1CN(CC(N1)C)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)C5=C(C=C(C=C5)C)NC(=O)N4)OC
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| InChI |
1S/C25H29N7O2/c1-14-5-7-18-20(9-14)29-25(33)30-21-11-26-24(31-23(18)21)28-19-8-6-17(10-22(19)34-4)32-12-15(2)27-16(3)13-32/h5-11,15-16,27H,12-13H2,1-4H3,(H,26,28,31)(H2,29,30,33)/t15-,16+
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| InChIKey |
YEUMCRKFUPOKOM-IYBDPMFKSA-N
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| PubChem Compound ID | ||||
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