General Information of the Compound
| Compound ID |
CP0058653
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| Compound Name |
2-[2-[(4,5-difluoro-2-methylphenoxy)methyl]-5-methoxypyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
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| Structure |
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| Formula |
C21H19F2N3O3
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| Molecular Weight |
399.397
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| Canonical SMILES |
COc1cnc(COc2cc(F)c(F)cc2C)cc1-c1cc2c(CCNC2=O)[nH]1
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| InChI |
InChI=1S/C21H19F2N3O3/c1-11-5-15(22)16(23)8-19(11)29-10-12-6-13(20(28-2)9-25-12)18-7-14-17(26-18)3-4-24-21(14)27/h5-9,26H,3-4,10H2,1-2H3,(H,24,27)
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| InChIKey |
FVNNTRZFDXTUGO-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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