General Information of the Compound
| Compound ID |
CP0441108
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| Compound Name |
US9186360, 95
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| Formula |
C27H27ClF3N5O7S
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| Molecular Weight |
658.055
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| Canonical SMILES |
CC(C)[C@H](N)C(=O)OCn1c(cs\c1=N/C(=O)Cc1c(C)oc2n(C)c(=O)n(C)c(=O)c12)-c1ccc(OC(F)(F)F)c(Cl)c1
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| InChI |
InChI=1S/C27H27ClF3N5O7S/c1-12(2)21(32)24(39)41-11-36-17(14-6-7-18(16(28)8-14)43-27(29,30)31)10-44-25(36)33-19(37)9-15-13(3)42-23-20(15)22(38)34(4)26(40)35(23)5/h6-8,10,12,21H,9,11,32H2,1-5H3/b33-25-/t21-/m0/s1
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| InChIKey |
MJFAWSAGOMZKPI-RAXQPMNESA-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: PT02149, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT03065, Transient receptor potential cation channel subfamily M member 8
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT04494, Transient receptor potential cation channel subfamily V member 3
Protein ID: PT03081, Transient receptor potential cation channel subfamily V member 4