General Information of the Compound
| Compound ID |
CP0549196
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| Compound Name |
US9422293, 254
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| Structure |
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| Formula |
C29H38F3N7
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| Molecular Weight |
541.666
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| Canonical SMILES |
CN(C)CCN(C)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(C)(C)C)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C29H38F3N7/c1-28(2,3)20-9-11-21(12-10-20)34-25-22-13-16-39(26-23(29(30,31)32)8-7-15-33-26)17-14-24(22)35-27(36-25)38(6)19-18-37(4)5/h7-12,15H,13-14,16-19H2,1-6H3,(H,34,35,36)
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| InChIKey |
AGOVGZSUJLDGST-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: PT01914, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1