General Information of the Compound
| Compound ID |
CP0413297
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| Compound Name |
US9422293, 255
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| Structure |
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| Formula |
C27H29Cl2F3N6
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| Molecular Weight |
565.471
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| Canonical SMILES |
FC(F)(F)c1cccnc1N1CCc2nc(nc(NCc3ccc(Cl)c(Cl)c3)c2CC1)N1CCCCCC1
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| InChI |
InChI=1S/C27H29Cl2F3N6/c28-21-8-7-18(16-22(21)29)17-34-24-19-9-14-37(25-20(27(30,31)32)6-5-11-33-25)15-10-23(19)35-26(36-24)38-12-3-1-2-4-13-38/h5-8,11,16H,1-4,9-10,12-15,17H2,(H,34,35,36)
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| InChIKey |
ZBTGMECXLABVRA-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