General Information of the Compound
| Compound ID |
CP0444924
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| Compound Name |
US9422293, 206
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| Structure |
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| Formula |
C27H31F3N6S
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| Molecular Weight |
528.648
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| Canonical SMILES |
CSc1nc2CCN(CCc2c(Nc2ccc3c(c2)N(C)CCC3(C)C)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C27H31F3N6S/c1-26(2)11-15-35(3)22-16-17(7-8-19(22)26)32-23-18-9-13-36(14-10-21(18)33-25(34-23)37-4)24-20(27(28,29)30)6-5-12-31-24/h5-8,12,16H,9-11,13-15H2,1-4H3,(H,32,33,34)
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| InChIKey |
ULBIQHDQWCAKFT-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