General Information of the Compound
| Compound ID |
CP0519593
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| Compound Name |
3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)-1,4-diazepan-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C23H24F5N5
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| Molecular Weight |
465.47
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| Canonical SMILES |
Fc1ccc(N2CCCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1
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| InChI |
InChI=1S/C23H24F5N5/c24-17-4-5-19(18(25)13-17)32-8-1-7-31(10-11-32)14-16-6-9-33-20(12-15-2-3-15)29-30-22(33)21(16)23(26,27)28/h4-6,9,13,15H,1-3,7-8,10-12,14H2
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| InChIKey |
SKVOKOBNKUHBFT-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