Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BXSI29
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| Binder Name |
Etrasimod
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| Synonyms |
APD334; APD-334; UNII-6WH8495MMH; 6WH8495MMH; CHEMBL3358920; Etrasimod (USAN); Etrasimod [USAN]; 1206123-37-6 (free base); Etrasimod(APD334); APD-334(FREE ACID); GTPL9331; SCHEMBL1919311; BCP19558; EX-A1633; KS-00001D0Q; BDBM50041691; AKOS032944972; ZINC117522788; APD334-003; compound 4 [PMID: 25516790]; CS-6181; DB14766; SB17088; HY-12789; D10930; F10118; Q27265630
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL |
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| Formula |
C26H26F3NO3
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| Canonical SMILES |
C1CCC(C1)C2=C(C=C(C=C2)COC3=CC4=C(C=C3)NC5=C4CC[C@@H]5CC(=O)O)C(F)(F)F
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| InChI |
1S/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/m1/s1
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| InChIKey |
MVGWUTBTXDYMND-QGZVFWFLSA-N
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| PubChem Compound ID | ||||
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