General Information of the Compound
| Compound ID |
CP0460485
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| Compound Name |
CHEMBL4080748
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| Formula |
C21H23FN4O2
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| Molecular Weight |
382.439
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| Canonical SMILES |
CCC(=O)N1CCC(CC1)c1cc(O)n2nc(C)c(-c3ccc(F)cc3)c2n1
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| InChI |
InChI=1S/C21H23FN4O2/c1-3-18(27)25-10-8-14(9-11-25)17-12-19(28)26-21(23-17)20(13(2)24-26)15-4-6-16(22)7-5-15/h4-7,12,14,28H,3,8-11H2,1-2H3
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| InChIKey |
BWSWSYVPWWFGAR-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
Protein ID: PT06401, Short transient receptor potential channel 4
Protein ID: PT06402, Short transient receptor potential channel 6