General Information of the Compound
| Compound ID |
CP0143387
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| Compound Name |
US9133148, 9aq
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| Synonyms |
ABX-1431
BDBM180052
CHEMBL3945728
SCHEMBL15100632
SQZJGTOZFRNWCX-UHFFFAOYSA-N
US9133148, 9aq
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| Structure |
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| Formula |
C20H22F9N3O2
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| Molecular Weight |
507.397
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| Canonical SMILES |
FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F
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| InChI |
InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2
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| InChIKey |
SQZJGTOZFRNWCX-UHFFFAOYSA-N
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| CAS |
1446817-84-0
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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