General Information of the Compound
| Compound ID |
CP0421038
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| Compound Name |
1-tert-butyl-N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-5-methylpyrazole-4-carboxamide;hydrochloride
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| Structure |
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| Formula |
C21H33ClN6OS
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| Molecular Weight |
453.056
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| Canonical SMILES |
Cl.CN1CCN(CC1)c1sc(NC(=O)c2cnn(c2C)C(C)(C)C)nc1C1CCC1
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| InChI |
InChI=1S/C21H32N6OS.ClH/c1-14-16(13-22-27(14)21(2,3)4)18(28)24-20-23-17(15-7-6-8-15)19(29-20)26-11-9-25(5)10-12-26;/h13,15H,6-12H2,1-5H3,(H,23,24,28);1H
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| InChIKey |
JRRXSWGENQXETD-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