Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L40JFZ
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| Ligand Name |
Cdk4/6-IN-3
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| Synonyms |
CHEMBL4545456; CDK4/6-IN-3; N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine; BDBM50521938; HY-126244; CS-0100948; N1J
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| Structure |
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Download2D MOL |
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| Formula |
C25H31FN8
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| Canonical SMILES |
CCN1CC2(C1)CN(C2)C3=CN=C(C=C3)NC4=NC=C(C(=N4)C5=C6C(CCCCN6N=C5)C)F
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| InChI |
1S/C25H31FN8/c1-3-32-13-25(14-32)15-33(16-25)18-7-8-21(27-10-18)30-24-28-12-20(26)22(31-24)19-11-29-34-9-5-4-6-17(2)23(19)34/h7-8,10-12,17H,3-6,9,13-16H2,1-2H3,(H,27,28,30,31)/t17-/m1/s1
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| InChIKey |
KMRYRPPWJDYHAL-QGZVFWFLSA-N
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| PubChem Compound ID | ||||
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