General Information of the Compound
| Compound ID |
CP0494946
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| Compound Name |
US9422293, 336
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| Structure |
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| Formula |
C28H29F6N5O
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| Molecular Weight |
565.562
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| Canonical SMILES |
FC(F)(F)c1ccc(Nc2nc(OC3CCCCCC3)nc3CCN(CCc23)c2ncccc2C(F)(F)F)cc1
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| InChI |
InChI=1S/C28H29F6N5O/c29-27(30,31)18-9-11-19(12-10-18)36-24-21-13-16-39(25-22(28(32,33)34)8-5-15-35-25)17-14-23(21)37-26(38-24)40-20-6-3-1-2-4-7-20/h5,8-12,15,20H,1-4,6-7,13-14,16-17H2,(H,36,37,38)
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| InChIKey |
AXVOBNXKFTZFEK-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