General Information of the Compound
| Compound ID |
CP0372228
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| Compound Name |
(5-(4-methoxyphenyl)-4-p-tolylpyrimidin-2-yl)(4-(naphthalen-2-yl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C33H30N4O2
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| Molecular Weight |
514.629
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| Canonical SMILES |
COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C33H30N4O2/c1-23-7-9-26(10-8-23)31-30(25-12-15-29(39-2)16-13-25)22-34-32(35-31)33(38)37-19-17-36(18-20-37)28-14-11-24-5-3-4-6-27(24)21-28/h3-16,21-22H,17-20H2,1-2H3
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| InChIKey |
VUUCXUUURNKIIG-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