General Information of the Compound
| Compound ID |
CP0255962
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| Compound Name |
US9422240, 1-378
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| Structure |
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| Formula |
C23H25N3O6
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| Molecular Weight |
439.468
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| Canonical SMILES |
CC(C)c1ccc(Oc2ccc(CN3CCC(O)=C(C(=O)NCC(O)=O)C3=O)cn2)cc1
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| InChI |
InChI=1S/C23H25N3O6/c1-14(2)16-4-6-17(7-5-16)32-19-8-3-15(11-24-19)13-26-10-9-18(27)21(23(26)31)22(30)25-12-20(28)29/h3-8,11,14,27H,9-10,12-13H2,1-2H3,(H,25,30)(H,28,29)
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| InChIKey |
KKYALXLCAJCKGY-UHFFFAOYSA-N
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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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