General Information of the Compound
| Compound ID |
CP0422848
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| Compound Name |
(4-(benzofuran-6-yl)piperazin-1-yl)(5-(4-methoxyphenyl)-4-p-tolylpyrimidin-2-yl)methanone
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| Structure |
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| Formula |
C31H28N4O3
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| Molecular Weight |
504.59
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| Canonical SMILES |
COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ccoc2c1
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| InChI |
InChI=1S/C31H28N4O3/c1-21-3-5-24(6-4-21)29-27(22-8-11-26(37-2)12-9-22)20-32-30(33-29)31(36)35-16-14-34(15-17-35)25-10-7-23-13-18-38-28(23)19-25/h3-13,18-20H,14-17H2,1-2H3
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| InChIKey |
NQRYUXSBLAYYRQ-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