General Information of the Compound
| Compound ID |
CP0156645
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| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-(2-methylpropanoyl)piperazin-2-yl]acetamide
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| Structure |
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| Formula |
C26H31N7O4
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| Molecular Weight |
505.579
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| Canonical SMILES |
CC(C)C(=O)N1CCN(CC1CC(=O)NCc1ccc2OCOc2c1)c1cc(C)nc(n1)-n1ccnc1
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| InChI |
InChI=1S/C26H31N7O4/c1-17(2)25(35)33-9-8-31(23-10-18(3)29-26(30-23)32-7-6-27-15-32)14-20(33)12-24(34)28-13-19-4-5-21-22(11-19)37-16-36-21/h4-7,10-11,15,17,20H,8-9,12-14,16H2,1-3H3,(H,28,34)
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| InChIKey |
BNKGEZQUYVVMBA-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