General Information of the Compound
| Compound ID |
CP0013148
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| Compound Name |
1-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone
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| Structure |
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| Formula |
C19H18FN5O2
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| Molecular Weight |
367.384
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| Canonical SMILES |
CC(=O)N1Cc2ccc(OCc3c(C)nnn3-c3ccc(F)cc3)nc2C1
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| InChI |
InChI=1S/C19H18FN5O2/c1-12-18(25(23-22-12)16-6-4-15(20)5-7-16)11-27-19-8-3-14-9-24(13(2)26)10-17(14)21-19/h3-8H,9-11H2,1-2H3
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| InChIKey |
IGANKKXNZYWZFN-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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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