General Information of the Compound
| Compound ID |
CP0313161
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| Compound Name |
3-(2-methoxyethoxy)-6-[(1R)-1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
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| Structure |
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| Formula |
C23H23N7O3
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| Molecular Weight |
445.483
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| Canonical SMILES |
COCCOc1cnc2ccn([C@H](C)c3nnc4ccc(cn34)-c3cnn(C)c3)c(=O)c2c1
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| InChI |
InChI=1S/C23H23N7O3/c1-15(22-27-26-21-5-4-16(14-30(21)22)17-11-25-28(2)13-17)29-7-6-20-19(23(29)31)10-18(12-24-20)33-9-8-32-3/h4-7,10-15H,8-9H2,1-3H3/t15-/m1/s1
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| InChIKey |
MVLDGYLKKKETQP-OAHLLOKOSA-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound