Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LDN4A5
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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~{S})-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]ethanamide
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| Synonyms |
CHEMBL4868536; 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]ethanamide; BDBM50573872; UMN
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| Structure |
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Download2D MOL |
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| Formula |
C29H30ClN5O4
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| Canonical SMILES |
C1COCCC1NC2=NC=C(C(=N2)C3=CC4=C(CN(C4=O)CC(=O)NC5(CCC6=CC=CC=C65)CO)C=C3)Cl
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| InChI |
1S/C29H30ClN5O4/c30-24-14-31-28(32-21-8-11-39-12-9-21)33-26(24)19-5-6-20-15-35(27(38)22(20)13-19)16-25(37)34-29(17-36)10-7-18-3-1-2-4-23(18)29/h1-6,13-14,21,36H,7-12,15-17H2,(H,34,37)(H,31,32,33)/t29-/m1/s1
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| InChIKey |
ANSUETKROJEMSJ-GDLZYMKVSA-N
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| PubChem Compound ID | ||||
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