General Information of the Compound
| Compound ID |
CP0518507
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| Compound Name |
US9422293, 122
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| Structure |
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| Formula |
C27H38F3N5
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| Molecular Weight |
489.63
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| Canonical SMILES |
CC(C)c1nc2CCN(CCc2c(NC2CCC(CC2)C(C)(C)C)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C27H38F3N5/c1-17(2)23-33-22-13-16-35(25-21(27(28,29)30)7-6-14-31-25)15-12-20(22)24(34-23)32-19-10-8-18(9-11-19)26(3,4)5/h6-7,14,17-19H,8-13,15-16H2,1-5H3,(H,32,33,34)
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| InChIKey |
OCCIRJOGRCLBMT-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