General Information of the Compound
| Compound ID |
CP0479622
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| Compound Name |
US9422293, 352
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| Structure |
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| Formula |
C32H33F3N6S
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| Molecular Weight |
590.719
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| Canonical SMILES |
CN1CCC(C)(C)c2ccc(Nc3nc(Sc4ccccc4)nc4CCN(CCc34)c3ncccc3C(F)(F)F)cc12
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| InChI |
InChI=1S/C32H33F3N6S/c1-31(2)15-19-40(3)27-20-21(11-12-24(27)31)37-28-23-13-17-41(29-25(32(33,34)35)10-7-16-36-29)18-14-26(23)38-30(39-28)42-22-8-5-4-6-9-22/h4-12,16,20H,13-15,17-19H2,1-3H3,(H,37,38,39)
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| InChIKey |
OCBCQHBSUGOVMB-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