General Information of the Compound
| Compound ID |
CP0233890
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| Compound Name |
ABT-494
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| Synonyms |
ABT-494
Upadacitinib
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| Structure |
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| Formula |
C17H19F3N6O
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| Molecular Weight |
380.374
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| Canonical SMILES |
CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F
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| InChI |
InChI=1S/C17H19F3N6O/c1-2-10-7-25(16(27)24-9-17(18,19)20)8-11(10)13-5-22-14-6-23-15-12(26(13)14)3-4-21-15/h3-6,10-11,21H,2,7-9H2,1H3,(H,24,27)/t10-,11+/m1/s1
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| InChIKey |
WYQFJHHDOKWSHR-MNOVXSKESA-N
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| CAS |
1310726-60-3
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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