General Information of the Compound
| Compound ID |
CP0331590
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| Compound Name |
7-[3-chloro-4-(oxan-4-yloxy)phenyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C22H21ClF3N3O2
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| Molecular Weight |
451.876
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| Canonical SMILES |
FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)-c1ccc(OC2CCOCC2)c(Cl)c1
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| InChI |
InChI=1S/C22H21ClF3N3O2/c23-17-12-14(3-4-18(17)31-15-6-9-30-10-7-15)16-5-8-29-19(11-13-1-2-13)27-28-21(29)20(16)22(24,25)26/h3-5,8,12-13,15H,1-2,6-7,9-11H2
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| InChIKey |
MWXQDEWVXWWKFT-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