General Information of the Compound
| Compound ID |
CP0515416
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| Compound Name |
US9422293, 320
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| Structure |
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| Formula |
C32H39F3N6O3S
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| Molecular Weight |
644.764
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| Canonical SMILES |
CC(Oc1nc2CCN(CCc2c(Nc2ccc(cc2)S(=O)(=O)N2CCCC2)n1)c1ncccc1C(F)(F)F)C1CCCCC1
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| InChI |
InChI=1S/C32H39F3N6O3S/c1-22(23-8-3-2-4-9-23)44-31-38-28-16-21-40(30-27(32(33,34)35)10-7-17-36-30)20-15-26(28)29(39-31)37-24-11-13-25(14-12-24)45(42,43)41-18-5-6-19-41/h7,10-14,17,22-23H,2-6,8-9,15-16,18-21H2,1H3,(H,37,38,39)
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| InChIKey |
CMHUUKZKGPKYOZ-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: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1