Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L82LBJ
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| Ligand Name |
Khk-IN-1
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| Synonyms |
KHK-IN-1; 1303469-70-6; KHK-IN-8; CHEMBL2017214; N~8~-(Cyclopropylmethyl)-N~4~-[2-(Methylsulfanyl)phenyl]-2-(Piperazin-1-Yl)pyrimido[5,4-D]pyrimidine-4,8-Diamine; N8-(Cyclopropylmethyl)-N4-[2-(methylthio)phenyl]-2-(1-piperazinyl)-pyrimido[5,4-d]pyrimidine-4,8-diamine; SCHEMBL19024009; BDBM50380246; ZINC72316202; AKOS030260408; CS-4606; HY-12841; Q27467594; 8-N-(cyclopropylmethyl)-4-N-(2-methylsulfanylphenyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine
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| Structure |
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Download2D MOL |
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| Formula |
C21H26N8S
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| Canonical SMILES |
CSC1=CC=CC=C1NC2=NC(=NC3=C2N=CN=C3NCC4CC4)N5CCNCC5
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| InChI |
1S/C21H26N8S/c1-30-16-5-3-2-4-15(16)26-20-17-18(19(25-13-24-17)23-12-14-6-7-14)27-21(28-20)29-10-8-22-9-11-29/h2-5,13-14,22H,6-12H2,1H3,(H,23,24,25)(H,26,27,28)
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| InChIKey |
HFLMLZKGLUEWBU-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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