General Information of the Compound
| Compound ID |
CP0434016
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| Compound Name |
N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
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| Structure |
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| Formula |
C21H28N4O3S
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| Molecular Weight |
416.547
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| Canonical SMILES |
COc1cc(OC)cc(c1)C(=O)Nc1nc(C2CCC2)c(s1)N1CCN(C)CC1
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| InChI |
InChI=1S/C21H28N4O3S/c1-24-7-9-25(10-8-24)20-18(14-5-4-6-14)22-21(29-20)23-19(26)15-11-16(27-2)13-17(12-15)28-3/h11-14H,4-10H2,1-3H3,(H,22,23,26)
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| InChIKey |
MEUYKBTYBNRUHB-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