General Information of the Compound
| Compound ID |
CP0388457
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| Compound Name |
8-[[8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]oxymethyl]isoquinoline
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| Structure |
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| Formula |
C20H17ClN4O
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| Molecular Weight |
364.836
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| Canonical SMILES |
Clc1c(OCc2cccc3ccncc23)ccn2c(CC3CC3)nnc12
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| InChI |
InChI=1S/C20H17ClN4O/c21-19-17(7-9-25-18(10-13-4-5-13)23-24-20(19)25)26-12-15-3-1-2-14-6-8-22-11-16(14)15/h1-3,6-9,11,13H,4-5,10,12H2
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| InChIKey |
FOLMXBPXGPARDX-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