General Information of the Compound
| Compound ID |
CP0486293
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| Compound Name |
US9422293, 334
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| Structure |
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| Formula |
C29H33F3N6O3S
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| Molecular Weight |
602.683
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| Canonical SMILES |
CC(Oc1nc2CCN(CCc2c(Nc2ccc(cc2)S(=O)(=O)N2CCCC2)n1)c1ncccc1C(F)(F)F)C1CC1
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| InChI |
InChI=1S/C29H33F3N6O3S/c1-19(20-6-7-20)41-28-35-25-13-18-37(27-24(29(30,31)32)5-4-14-33-27)17-12-23(25)26(36-28)34-21-8-10-22(11-9-21)42(39,40)38-15-2-3-16-38/h4-5,8-11,14,19-20H,2-3,6-7,12-13,15-18H2,1H3,(H,34,35,36)
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| InChIKey |
BSVSSDRHLZJUNH-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