Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LGXL94
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| Ligand Name |
(3s)-6-(3-Tert-Butyl-5-{[(2,3-Dichlorophenyl)carbamoyl]amino}-1h-Pyrazol-1-Yl)-1,2,3,4-Tetrahydroisoquinoline-3-Carboxylic Acid
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| Synonyms |
BCR-ABL-IN-2; 897369-18-5; DP-987; (S)-6-(3-(tert-butyl)-5-(3-(2,3-dichlorophenyl)ureido)-1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid; (3s)-6-(3-Tert-Butyl-5-{[(2,3-Dichlorophenyl)carbamoyl]amino}-1h-Pyrazol-1-Yl)-1,2,3,4-Tetrahydroisoquinoline-3-Carboxylic Acid; (3S)-6-[3-tert-butyl-5-[(2,3-dichlorophenyl)carbamoylamino]pyrazol-1-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid; SCHEMBL2080351; CHEBI:62173; BCP29509; ZINC36479542; HY-18819; CS-0014496; Q27131661; 9DP
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| Structure |
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Download2D MOL |
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| Formula |
C24H25Cl2N5O3
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| Canonical SMILES |
CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C(=CC=C2)Cl)Cl)C3=CC4=C(CNC(C4)C(=O)O)C=C3
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| InChI |
1S/C24H25Cl2N5O3/c1-24(2,3)19-11-20(29-23(34)28-17-6-4-5-16(25)21(17)26)31(30-19)15-8-7-13-12-27-18(22(32)33)10-14(13)9-15/h4-9,11,18,27H,10,12H2,1-3H3,(H,32,33)(H2,28,29,34)/t18-/m0/s1
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| InChIKey |
CMUVVEBHULJOFP-SFHVURJKSA-N
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| PubChem Compound ID | ||||
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