Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L5G9XD
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| Ligand Name |
(2~{S})-1-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]phenyl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]pyrrolidine-2-carboxamide
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| Synonyms |
(2~{S})-1-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]phenyl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]pyrrolidine-2-carboxamide; T3H
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| Structure |
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Download2D MOL |
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| Formula |
C25H30N10O
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| Canonical SMILES |
CNC(=NC)NC1=CC=C(C=C1)N2CCCC2C(=O)NCC3=CC4=C(C=C3)N=C(N4)C5=CN=NN5C
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| InChI |
1S/C25H30N10O/c1-26-25(27-2)30-17-7-9-18(10-8-17)35-12-4-5-21(35)24(36)28-14-16-6-11-19-20(13-16)32-23(31-19)22-15-29-33-34(22)3/h6-11,13,15,21H,4-5,12,14H2,1-3H3,(H,28,36)(H,31,32)(H2,26,27,30)/t21-/m0/s1
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| InChIKey |
MXOKQNYTQUSCFY-NRFANRHFSA-N
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| PubChem Compound ID | ||||
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