General Information of the Compound
| Compound ID |
CP0564118
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| Compound Name |
US9422293, 230
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| Structure |
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| Formula |
C25H27Cl2F3N6O
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| Molecular Weight |
555.432
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| Canonical SMILES |
COCCN(C)c1nc2CCN(CCc2c(NCc2ccc(Cl)c(Cl)c2)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C25H27Cl2F3N6O/c1-35(12-13-37-2)24-33-21-8-11-36(23-18(25(28,29)30)4-3-9-31-23)10-7-17(21)22(34-24)32-15-16-5-6-19(26)20(27)14-16/h3-6,9,14H,7-8,10-13,15H2,1-2H3,(H,32,33,34)
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| InChIKey |
GAUJJXFZADZRIP-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