General Information of the Compound
| Compound ID |
CP0441825
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| Compound Name |
3-(cyclopropylmethyl)-7-[4-(3,6-difluoro-2-methoxyphenyl)piperidin-1-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C23H23F5N4O
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| Molecular Weight |
466.454
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| Canonical SMILES |
COc1c(F)ccc(F)c1C1CCN(CC1)c1ccn2c(CC3CC3)nnc2c1C(F)(F)F
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| InChI |
InChI=1S/C23H23F5N4O/c1-33-21-16(25)5-4-15(24)19(21)14-6-9-31(10-7-14)17-8-11-32-18(12-13-2-3-13)29-30-22(32)20(17)23(26,27)28/h4-5,8,11,13-14H,2-3,6-7,9-10,12H2,1H3
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| InChIKey |
AREDGFWKVCUPTH-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