General Information of the Compound
| Compound ID |
CP0535244
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| Compound Name |
N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-(4,4-difluorocyclohexyl)-5-methylpyrazole-4-carboxamide;dihydrochloride
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| Structure |
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| Formula |
C23H34Cl2F2N6OS
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| Molecular Weight |
551.535
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| Canonical SMILES |
Cl.Cl.CN1CCN(CC1)c1sc(NC(=O)c2cnn(C3CCC(F)(F)CC3)c2C)nc1C1CCC1
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| InChI |
InChI=1S/C23H32F2N6OS.2ClH/c1-15-18(14-26-31(15)17-6-8-23(24,25)9-7-17)20(32)28-22-27-19(16-4-3-5-16)21(33-22)30-12-10-29(2)11-13-30;;/h14,16-17H,3-13H2,1-2H3,(H,27,28,32);2*1H
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| InChIKey |
FDPJLHBRTJFRRM-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