General Information of the Compound
| Compound ID |
CP0565732
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| Compound Name |
US9422293, 262
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| Structure |
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| Formula |
C25H25F6N7O
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| Molecular Weight |
553.511
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| Canonical SMILES |
OC[C@@H]1CCCN1c1nc2CCN(CCc2c(Nc2ccc(cn2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C25H25F6N7O/c26-24(27,28)15-5-6-20(33-13-15)35-21-17-7-11-37(22-18(25(29,30)31)4-1-9-32-22)12-8-19(17)34-23(36-21)38-10-2-3-16(38)14-39/h1,4-6,9,13,16,39H,2-3,7-8,10-12,14H2,(H,33,34,35,36)/t16-/m0/s1
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| InChIKey |
JOZZJNAXUVHLEZ-INIZCTEOSA-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