Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L83KXZ
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| Ligand Name |
4-({3-Chloro-4-[3-(Trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(Methylsulfonyl)ethyl]-8,9-Dihydro-7h-Pyrimido[4,5-B]azepine-6-Carboxamide
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| Synonyms |
CHEMBL2348415; 4-({3-Chloro-4-[3-(Trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(Methylsulfonyl)ethyl]-8,9-Dihydro-7h-Pyrimido[4,5-B]azepine-6-Carboxamide; SCHEMBL3506620; 3w32; DTXSID901101701; BDBM50432376; Q27467179; 4-[[3-Chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]amino]-8,9-dihydro-N-[2-(methylsulfonyl)ethyl]-7H-pyrimido[4,5-b]azepine-6-carboxamide; 947664-05-3
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| Structure |
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Download2D MOL |
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| Formula |
C25H23ClF3N5O4S
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| Canonical SMILES |
CS(=O)(=O)CCNC(=O)C1=CC2=C(NCC1)N=CN=C2NC3=CC(=C(C=C3)OC4=CC=CC(=C4)C(F)(F)F)Cl
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| InChI |
1S/C25H23ClF3N5O4S/c1-39(36,37)10-9-31-24(35)15-7-8-30-22-19(11-15)23(33-14-32-22)34-17-5-6-21(20(26)13-17)38-18-4-2-3-16(12-18)25(27,28)29/h2-6,11-14H,7-10H2,1H3,(H,31,35)(H2,30,32,33,34)
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| InChIKey |
QRXMEGUJRZKMEO-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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