General Information of the Compound
| Compound ID |
CP0451456
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| Compound Name |
US9422293, 383
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| Structure |
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| Formula |
C29H35F3N6O
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| Molecular Weight |
540.634
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| Canonical SMILES |
CC(C)(CO)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cc1
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| InChI |
InChI=1S/C29H35F3N6O/c1-28(2,19-39)20-8-10-21(11-9-20)34-25-22-12-17-37(26-23(29(30,31)32)7-6-14-33-26)18-13-24(22)35-27(36-25)38-15-4-3-5-16-38/h6-11,14,39H,3-5,12-13,15-19H2,1-2H3,(H,34,35,36)
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| InChIKey |
PKBPUKYDLDGPQR-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