General Information of the Compound
| Compound ID |
CP0488626
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| Compound Name |
US9422293, 364
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| Structure |
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| Formula |
C29H25F6N5S
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| Molecular Weight |
589.609
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| Canonical SMILES |
Cc1cc(ccc1Nc1nc(SCc2ccccc2)nc2CCN(CCc12)c1ncccc1C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C29H25F6N5S/c1-18-16-20(28(30,31)32)9-10-23(18)37-25-21-11-14-40(26-22(29(33,34)35)8-5-13-36-26)15-12-24(21)38-27(39-25)41-17-19-6-3-2-4-7-19/h2-10,13,16H,11-12,14-15,17H2,1H3,(H,37,38,39)
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| InChIKey |
VEETYIBTRNASGD-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