General Information of the Compound
| Compound ID |
CP0576227
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| Compound Name |
N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-cyclohexyl-5-methylpyrazole-4-carboxamide;dihydrochloride
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| Structure |
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| Formula |
C23H36Cl2N6OS
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| Molecular Weight |
515.555
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| Canonical SMILES |
Cl.Cl.CN1CCN(CC1)c1sc(NC(=O)c2cnn(C3CCCCC3)c2C)nc1C1CCC1
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| InChI |
InChI=1S/C23H34N6OS.2ClH/c1-16-19(15-24-29(16)18-9-4-3-5-10-18)21(30)26-23-25-20(17-7-6-8-17)22(31-23)28-13-11-27(2)12-14-28;;/h15,17-18H,3-14H2,1-2H3,(H,25,26,30);2*1H
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| InChIKey |
CPPSBWWVXGXAFO-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