Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LIQD07
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| Ligand Name |
(1~{R},2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid
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| Synonyms |
CHEMBL4163988; (1~{R},2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid; BDBM50331392; E7W
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| Structure |
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Download2D MOL |
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| Formula |
C22H25N5O2
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| Canonical SMILES |
C1CCC(C(C1)C(=O)O)NC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC(=C4)CN
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| InChI |
1S/C22H25N5O2/c23-13-14-6-5-7-15(12-14)24-20-16-8-1-3-10-18(16)25-22(27-20)26-19-11-4-2-9-17(19)21(28)29/h1,3,5-8,10,12,17,19H,2,4,9,11,13,23H2,(H,28,29)(H2,24,25,26,27)/t17-,19+/m1/s1
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| InChIKey |
HGCXJWRMCKMKEG-MJGOQNOKSA-N
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| PubChem Compound ID | ||||
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