General Information of the Compound
| Compound ID |
CP0507324
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| Compound Name |
US9422293, 94B
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| Structure |
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| Formula |
C26H26F6N6O
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| Molecular Weight |
552.523
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| Canonical SMILES |
O[C@H]1CCCN(C1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C26H26F6N6O/c27-25(28,29)16-5-7-17(8-6-16)34-22-19-9-13-37(23-20(26(30,31)32)4-1-11-33-23)14-10-21(19)35-24(36-22)38-12-2-3-18(39)15-38/h1,4-8,11,18,39H,2-3,9-10,12-15H2,(H,34,35,36)/t18-/m0/s1
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| InChIKey |
VZFKEYSLKVBJEO-SFHVURJKSA-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