General Information of the Compound
| Compound ID |
CP0446996
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| Compound Name |
3-(cyclopropylmethyl)-7-[4-(2-cyclopropylpyridin-4-yl)oxy-3-fluorophenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C25H20F4N4O
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| Molecular Weight |
468.454
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| Canonical SMILES |
Fc1cc(ccc1Oc1ccnc(c1)C1CC1)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F
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| InChI |
InChI=1S/C25H20F4N4O/c26-19-12-16(5-6-21(19)34-17-7-9-30-20(13-17)15-3-4-15)18-8-10-33-22(11-14-1-2-14)31-32-24(33)23(18)25(27,28)29/h5-10,12-15H,1-4,11H2
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| InChIKey |
JPUBJSRVNYOIBK-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