General Information of the Compound
| Compound ID |
CP0515442
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| Compound Name |
US9422293, 226
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| Structure |
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| Formula |
C26H28ClF6N7
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| Molecular Weight |
588
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| Canonical SMILES |
CN(C)CCN(C)c1nc2CCN(CCc2c(Nc2ccc(c(Cl)c2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C26H28ClF6N7/c1-38(2)13-14-39(3)24-36-21-9-12-40(23-19(26(31,32)33)5-4-10-34-23)11-8-17(21)22(37-24)35-16-6-7-18(20(27)15-16)25(28,29)30/h4-7,10,15H,8-9,11-14H2,1-3H3,(H,35,36,37)
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| InChIKey |
VQMRYECVVQNLGO-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