General Information of the Compound
| Compound ID |
CP0518499
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| Compound Name |
US9422293, 228
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| Structure |
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| Formula |
C24H25F6N7O
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| Molecular Weight |
541.5
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| Canonical SMILES |
COCCN(C)c1nc2CCN(CCc2c(Nc2ccc(nc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C24H25F6N7O/c1-36(12-13-38-2)22-34-18-8-11-37(21-17(23(25,26)27)4-3-9-31-21)10-7-16(18)20(35-22)33-15-5-6-19(32-14-15)24(28,29)30/h3-6,9,14H,7-8,10-13H2,1-2H3,(H,33,34,35)
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| InChIKey |
MNTIYLGHDULXMR-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