General Information of the Compound
| Compound ID |
CP0512452
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| Compound Name |
8-chloro-3-(cyclopropylmethyl)-7-(naphthalen-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C21H18ClN3O
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| Molecular Weight |
363.848
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| Canonical SMILES |
Clc1c(OCc2ccc3ccccc3c2)ccn2c(CC3CC3)nnc12
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| InChI |
InChI=1S/C21H18ClN3O/c22-20-18(9-10-25-19(12-14-5-6-14)23-24-21(20)25)26-13-15-7-8-16-3-1-2-4-17(16)11-15/h1-4,7-11,14H,5-6,12-13H2
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| InChIKey |
HKCWMFRSAOXRPW-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