Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L3UDF9
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| Ligand Name |
1-{4-[(2-Chloro-5-{1-[3-(4-cyclopropylpiperazin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}-n-[(4-chlorophenyl)methyl]methanamine
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| Synonyms |
1-{4-[(2-chloro-5-{1-[3-(4-cyclopropylpiperazin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}-n-[(4-chlorophenyl)methyl]methanamine; SCHEMBL4573976; BDBM586501; BGJ
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| Structure |
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Download2D MOL |
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| Formula |
C39H44Cl2N6O2S
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| Canonical SMILES |
CS(=O)(=O)N1CCC2=C(C1)C(=NN2CCCN3CCN(CC3)C4CC4)C5=CC(=C(C=C5)Cl)C#CC6=CC=C(C=C6)CNCC7=CC=C(C=C7)Cl
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| InChI |
1S/C39H44Cl2N6O2S/c1-50(48,49)46-20-17-38-36(28-46)39(43-47(38)19-2-18-44-21-23-45(24-22-44)35-14-15-35)33-11-16-37(41)32(25-33)10-7-29-3-5-30(6-4-29)26-42-27-31-8-12-34(40)13-9-31/h3-6,8-9,11-13,16,25,35,42H,2,14-15,17-24,26-28H2,1H3
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| InChIKey |
HQHJSIFCCGLWGY-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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