General Information of the Compound
| Compound ID |
CP0400420
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| Compound Name |
US9422293, 318
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| Structure |
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| Formula |
C29H31F6N5O3S
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| Molecular Weight |
643.654
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| Canonical SMILES |
CC(Oc1nc2CCN(CCc2c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1)c1ncccc1C(F)(F)F)C1CCCCC1
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| InChI |
InChI=1S/C29H31F6N5O3S/c1-18(19-6-3-2-4-7-19)43-27-38-24-14-17-40(26-23(28(30,31)32)8-5-15-36-26)16-13-22(24)25(39-27)37-20-9-11-21(12-10-20)44(41,42)29(33,34)35/h5,8-12,15,18-19H,2-4,6-7,13-14,16-17H2,1H3,(H,37,38,39)
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| InChIKey |
YKMRZYSPUYNLHC-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