General Information of the Compound
| Compound ID |
CP0515414
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| Compound Name |
US9422293, 123
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| Structure |
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| Formula |
C25H27ClF3N5
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| Molecular Weight |
489.973
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| Canonical SMILES |
CC(C)c1nc2CCN(CCc2c(NCCc2cccc(Cl)c2)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C25H27ClF3N5/c1-16(2)22-32-21-10-14-34(24-20(25(27,28)29)7-4-11-31-24)13-9-19(21)23(33-22)30-12-8-17-5-3-6-18(26)15-17/h3-7,11,15-16H,8-10,12-14H2,1-2H3,(H,30,32,33)
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| InChIKey |
OACCBZNRMWJWML-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