General Information of the Compound
| Compound ID |
CP0545522
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| Compound Name |
US9422293, 264
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| Structure |
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| Formula |
C28H33F3N6O
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| Molecular Weight |
526.607
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| Canonical SMILES |
CC(C)(C)c1ccc(Nc2nc(N[C@@H]3CCOC3)nc3CCN(CCc23)c2ncccc2C(F)(F)F)cc1
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| InChI |
InChI=1S/C28H33F3N6O/c1-27(2,3)18-6-8-19(9-7-18)33-24-21-10-14-37(25-22(28(29,30)31)5-4-13-32-25)15-11-23(21)35-26(36-24)34-20-12-16-38-17-20/h4-9,13,20H,10-12,14-17H2,1-3H3,(H2,33,34,35,36)/t20-/m1/s1
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| InChIKey |
HTSRAOQVVUVDCS-HXUWFJFHSA-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