General Information of the Compound
| Compound ID |
CP0518944
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| Compound Name |
US9186360, 2
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| Structure |
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| Formula |
C23H25N7O2S
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| Molecular Weight |
463.567
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| Canonical SMILES |
CN1C2=NCCN2c2ncn(CC(=O)Nc3nc(cs3)-c3ccc(cc3)C(C)(C)C)c2C1=O
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| InChI |
InChI=1S/C23H25N7O2S/c1-23(2,3)15-7-5-14(6-8-15)16-12-33-21(26-16)27-17(31)11-29-13-25-19-18(29)20(32)28(4)22-24-9-10-30(19)22/h5-8,12-13H,9-11H2,1-4H3,(H,26,27,31)
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| InChIKey |
OOZCYHFVKYNNLY-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: 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