General Information of the Compound
| Compound ID |
CP0164283
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| Compound Name |
5-[8-(3-chloro-2-methylphenoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]azepan-2-one
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| Structure |
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| Formula |
C19H19ClN4O2
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| Molecular Weight |
370.84
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| Canonical SMILES |
Cc1c(Cl)cccc1Oc1cccn2c(nnc12)C1CCNC(=O)CC1
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| InChI |
InChI=1S/C19H19ClN4O2/c1-12-14(20)4-2-5-15(12)26-16-6-3-11-24-18(22-23-19(16)24)13-7-8-17(25)21-10-9-13/h2-6,11,13H,7-10H2,1H3,(H,21,25)
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| InChIKey |
IXNVHFQLZNCJJN-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