General Information of the Compound
| Compound ID |
CP0441275
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| Compound Name |
(5-(4-ethoxyphenyl)-4-p-tolylpyrimidin-2-yl)(4-(quinolin-3-yl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C33H31N5O2
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| Molecular Weight |
529.644
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| Canonical SMILES |
CCOc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
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| InChI |
InChI=1S/C33H31N5O2/c1-3-40-28-14-12-24(13-15-28)29-22-35-32(36-31(29)25-10-8-23(2)9-11-25)33(39)38-18-16-37(17-19-38)27-20-26-6-4-5-7-30(26)34-21-27/h4-15,20-22H,3,16-19H2,1-2H3
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| InChIKey |
ANAJQFYWUVCQJM-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