General Information of the Compound
| Compound ID |
CP0117181
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| Compound Name |
US9260446, (I-S)
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| Synonyms |
XEN-402
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| Structure |
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| Formula |
C22H14F3NO5
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| Molecular Weight |
429.35
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| Canonical SMILES |
FC(F)(F)c1ccc(CN2C(=O)[C@@]3(COc4cc5OCOc5cc34)c3ccccc23)o1
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| InChI |
InChI=1S/C22H14F3NO5/c23-22(24,25)19-6-5-12(31-19)9-26-15-4-2-1-3-13(15)21(20(26)27)10-28-16-8-18-17(7-14(16)21)29-11-30-18/h1-8H,9-11H2/t21-/m0/s1
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| InChIKey |
NEBUOXBYNAHKFV-NRFANRHFSA-N
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| CAS |
1259933-16-8
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Clinical Information about the Compound