General Information of the Compound
| Compound ID |
CP0398829
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| Compound Name |
2-[2-methyl-4-oxo-3-[[2-(triazol-1-ylmethyl)phenyl]methyl]-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]acetic acid
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| Structure |
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| Formula |
C20H21N5O3
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| Molecular Weight |
379.42
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| Canonical SMILES |
Cc1c(Cc2ccccc2Cn2ccnn2)c2c(CCNC2=O)n1CC(O)=O
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| InChI |
InChI=1S/C20H21N5O3/c1-13-16(19-17(6-7-21-20(19)28)25(13)12-18(26)27)10-14-4-2-3-5-15(14)11-24-9-8-22-23-24/h2-5,8-9H,6-7,10-12H2,1H3,(H,21,28)(H,26,27)
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| InChIKey |
GFADBROOLTULHA-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