General Information of the Compound
| Compound ID |
CP0501445
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| Compound Name |
US9422293, 329
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| Structure |
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| Formula |
C29H33F3N6O2
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| Molecular Weight |
554.617
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| Canonical SMILES |
CN1CCCc2ccc(Nc3nc(OC4CCOCC4)nc4CCN(CCc34)c3ncccc3C(F)(F)F)cc12
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| InChI |
InChI=1S/C29H33F3N6O2/c1-37-13-3-4-19-6-7-20(18-25(19)37)34-26-22-8-14-38(27-23(29(30,31)32)5-2-12-33-27)15-9-24(22)35-28(36-26)40-21-10-16-39-17-11-21/h2,5-7,12,18,21H,3-4,8-11,13-17H2,1H3,(H,34,35,36)
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| InChIKey |
KCRYZRGCPDUFLI-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