General Information of the Compound
| Compound ID |
CP0413480
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| Compound Name |
US9422293, 316
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| Structure |
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| Formula |
C32H39F3N6O
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| Molecular Weight |
580.699
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| Canonical SMILES |
CC(Oc1nc2CCN(CCc2c(Nc2ccc3CCCN(C)c3c2)n1)c1ncccc1C(F)(F)F)C1CCCCC1
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| InChI |
InChI=1S/C32H39F3N6O/c1-21(22-8-4-3-5-9-22)42-31-38-27-15-19-41(30-26(32(33,34)35)11-6-16-36-30)18-14-25(27)29(39-31)37-24-13-12-23-10-7-17-40(2)28(23)20-24/h6,11-13,16,20-22H,3-5,7-10,14-15,17-19H2,1-2H3,(H,37,38,39)
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| InChIKey |
ZYRZNUYAYFQNRC-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