General Information of the Compound
| Compound ID |
CP0141016
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| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-benzyl-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazin-2-yl]acetamide
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| Structure |
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| Formula |
C29H31N7O3
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| Molecular Weight |
525.613
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| Canonical SMILES |
Cc1cc(nc(n1)-n1ccnc1)N1CCN(Cc2ccccc2)C(CC(=O)NCc2ccc3OCOc3c2)C1
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| InChI |
InChI=1S/C29H31N7O3/c1-21-13-27(33-29(32-21)36-10-9-30-19-36)35-12-11-34(17-22-5-3-2-4-6-22)24(18-35)15-28(37)31-16-23-7-8-25-26(14-23)39-20-38-25/h2-10,13-14,19,24H,11-12,15-18,20H2,1H3,(H,31,37)
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| InChIKey |
DVUZLCFDNOGYKM-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