General Information of the Compound
| Compound ID |
CP0490934
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| Compound Name |
US9422293, 351
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| Structure |
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| Formula |
C28H23F6N5S
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| Molecular Weight |
575.582
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| Canonical SMILES |
Cc1cc(ccc1Nc1nc(Sc2ccccc2)nc2CCN(CCc12)c1ncccc1C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C28H23F6N5S/c1-17-16-18(27(29,30)31)9-10-22(17)36-24-20-11-14-39(25-21(28(32,33)34)8-5-13-35-25)15-12-23(20)37-26(38-24)40-19-6-3-2-4-7-19/h2-10,13,16H,11-12,14-15H2,1H3,(H,36,37,38)
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| InChIKey |
DHXFQBXAVCKLHN-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