General Information of the Compound
| Compound ID |
CP0387330
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| Compound Name |
2-[4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
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| Structure |
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| Formula |
C28H29N7O2
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| Molecular Weight |
495.587
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| Canonical SMILES |
CN1CCOc2cc(ccc12)-c1cn(CC(=O)N2CCN(CC2)c2ncccn2)c(n1)-c1ccccc1
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| InChI |
InChI=1S/C28H29N7O2/c1-32-16-17-37-25-18-22(8-9-24(25)32)23-19-35(27(31-23)21-6-3-2-4-7-21)20-26(36)33-12-14-34(15-13-33)28-29-10-5-11-30-28/h2-11,18-19H,12-17,20H2,1H3
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| InChIKey |
MGFFJJLNQYUYTE-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