Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L1P0EM
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| Ligand Name |
1-[4-[(1~{R})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one
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| Synonyms |
CHEMBL4435393; 1-[4-[(1~{R})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one; BDBM50520142; KHQ
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| Structure |
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Download2D MOL |
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| Formula |
C28H31F3N8O
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| Canonical SMILES |
CC(C1=CC(=NC=C1)NC2=NC3=C(N2)C=C(C=C3)C4=CN(N=C4)CC5CC5)N6CCN(CC6)C(=O)CC(F)(F)F
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| InChI |
1S/C28H31F3N8O/c1-18(37-8-10-38(11-9-37)26(40)14-28(29,30)31)20-6-7-32-25(13-20)36-27-34-23-5-4-21(12-24(23)35-27)22-15-33-39(17-22)16-19-2-3-19/h4-7,12-13,15,17-19H,2-3,8-11,14,16H2,1H3,(H2,32,34,35,36)/t18-/m1/s1
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| InChIKey |
WEFRCKPVMWDRAK-GOSISDBHSA-N
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| PubChem Compound ID | ||||
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