General Information of the Compound
| Compound ID |
CP0180290
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| Compound Name |
9-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-one
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| Structure |
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| Formula |
C21H21N5O3S2
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| Molecular Weight |
455.565
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| Canonical SMILES |
Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3COCC2CC(=O)C3)n1
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| InChI |
InChI=1S/C21H21N5O3S2/c1-11-19(31-12(2)23-11)17-10-30-21(24-17)25-18-4-3-13(7-22-18)20(28)26-14-5-16(27)6-15(26)9-29-8-14/h3-4,7,10,14-15H,5-6,8-9H2,1-2H3,(H,22,24,25)
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| InChIKey |
SBLMJNTVBBGDCO-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: PT03081, Transient receptor potential cation channel subfamily V member 4
Protein ID: PT04567, Transient receptor potential cation channel subfamily V member 4