General Information of the Compound
| Compound ID |
CP0444927
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| Compound Name |
US9422293, 274
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| Structure |
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| Formula |
C27H29F6N7
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| Molecular Weight |
565.566
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| Canonical SMILES |
CC(C)C1CCCN1c1nc2CCN(CCc2c(Nc2ccc(nc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C27H29F6N7/c1-16(2)21-6-4-12-40(21)25-37-20-10-14-39(24-19(26(28,29)30)5-3-11-34-24)13-9-18(20)23(38-25)36-17-7-8-22(35-15-17)27(31,32)33/h3,5,7-8,11,15-16,21H,4,6,9-10,12-14H2,1-2H3,(H,36,37,38)
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| InChIKey |
ZSMNKXOYPZBVCX-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