General Information of the Compound
| Compound ID |
CP0488980
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| Compound Name |
N-[[2-chloro-4-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]phenyl]methyl]oxan-4-amine
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| Structure |
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| Formula |
C23H24ClF3N4O
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| Molecular Weight |
464.919
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| Canonical SMILES |
FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)-c1ccc(CNC2CCOCC2)c(Cl)c1
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| InChI |
InChI=1S/C23H24ClF3N4O/c24-19-12-15(3-4-16(19)13-28-17-6-9-32-10-7-17)18-5-8-31-20(11-14-1-2-14)29-30-22(31)21(18)23(25,26)27/h3-5,8,12,14,17,28H,1-2,6-7,9-11,13H2
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| InChIKey |
SCOBFXVAWLTPQZ-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