General Information of the Compound
| Compound ID |
CP0444926
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| Compound Name |
US9422293, 270
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| Structure |
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| Formula |
C27H29F6N7
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| Molecular Weight |
565.566
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| Canonical SMILES |
FC(F)(F)c1ccc(Nc2nc(NCC3CCCCC3)nc3CCN(CCc23)c2ncccc2C(F)(F)F)cn1
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| InChI |
InChI=1S/C27H29F6N7/c28-26(29,30)20-7-4-12-34-24(20)40-13-10-19-21(11-14-40)38-25(36-15-17-5-2-1-3-6-17)39-23(19)37-18-8-9-22(35-16-18)27(31,32)33/h4,7-9,12,16-17H,1-3,5-6,10-11,13-15H2,(H2,36,37,38,39)
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| InChIKey |
KRTWPFQRLLWVQV-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