General Information of the Compound
| Compound ID |
CP0444354
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| Compound Name |
3-({[(1R)-6-methoxy-1,2,3,4- tetrahydronaphthalen-1-yl]-methyl} amino)pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C18H20N2O3
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| Molecular Weight |
312.369
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| Canonical SMILES |
COc1ccc2[C@H](CNc3cnccc3C(O)=O)CCCc2c1
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| InChI |
InChI=1S/C18H20N2O3/c1-23-14-5-6-15-12(9-14)3-2-4-13(15)10-20-17-11-19-8-7-16(17)18(21)22/h5-9,11,13,20H,2-4,10H2,1H3,(H,21,22)/t13-/m0/s1
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| InChIKey |
NXQKMWGCRMQRSS-ZDUSSCGKSA-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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