General Information of the Compound
| Compound ID |
CP0402968
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| Compound Name |
N-[4-cyclobutyl-5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]-1-(5-fluoropyridin-2-yl)-3-methylpyrazole-4-carboxamide;dihydrochloride
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| Structure |
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| Formula |
C24H31Cl2FN6OS
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| Molecular Weight |
541.524
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| Canonical SMILES |
Cl.Cl.Cc1nn(cc1C(=O)Nc1nc(C2CCC2)c(CCN2CCCCC2)s1)-c1ccc(F)cn1
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| InChI |
InChI=1S/C24H29FN6OS.2ClH/c1-16-19(15-31(29-16)21-9-8-18(25)14-26-21)23(32)28-24-27-22(17-6-5-7-17)20(33-24)10-13-30-11-3-2-4-12-30;;/h8-9,14-15,17H,2-7,10-13H2,1H3,(H,27,28,32);2*1H
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| InChIKey |
MQLIWQBORGMEKD-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: PT04567, Transient receptor potential cation channel subfamily V member 4
Protein ID: PT03081, Transient receptor potential cation channel subfamily V member 4