General Information of the Compound
| Compound ID |
CP0515209
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| Compound Name |
US9422293, 174
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| Structure |
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| Formula |
C28H32F3N5O2
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| Molecular Weight |
527.591
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| Canonical SMILES |
COC(=O)C(C)(C)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)C(C)C)cc1
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| InChI |
InChI=1S/C28H32F3N5O2/c1-17(2)23-34-22-13-16-36(25-21(28(29,30)31)7-6-14-32-25)15-12-20(22)24(35-23)33-19-10-8-18(9-11-19)27(3,4)26(37)38-5/h6-11,14,17H,12-13,15-16H2,1-5H3,(H,33,34,35)
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| InChIKey |
GCBKCRNQMCIQID-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: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1