General Information of the Compound
| Compound ID |
CP0502593
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| Compound Name |
(5-(3-methoxyphenyl)-4-p-tolylpyrimidin-2-yl)(4-(quinolin-3-yl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C32H29N5O2
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| Molecular Weight |
515.617
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| Canonical SMILES |
COc1cccc(c1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
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| InChI |
InChI=1S/C32H29N5O2/c1-22-10-12-23(13-11-22)30-28(24-7-5-8-27(19-24)39-2)21-34-31(35-30)32(38)37-16-14-36(15-17-37)26-18-25-6-3-4-9-29(25)33-20-26/h3-13,18-21H,14-17H2,1-2H3
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| InChIKey |
YGQUILNHUIYMEE-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