General Information of the Compound
| Compound ID |
CP0153310
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| Compound Name |
US8552037, 90
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| Structure |
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| Formula |
C15H18N2O2
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| Molecular Weight |
258.321
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| Canonical SMILES |
CC(=O)NCC[C@@H]1CCc2ccc3nc(C)oc3c12
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| InChI |
InChI=1S/C15H18N2O2/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-6,12H,3-4,7-8H2,1-2H3,(H,16,18)/t12-/m0/s1
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| InChIKey |
CCRUCMHMQXUZAT-LBPRGKRZSA-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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