General Information of the Compound
| Compound ID |
CP0510850
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| Compound Name |
3-[[1-[5-[(3-methyl-5-phenyl-1-benzofuran-2-carbonyl)amino]pyrimidin-2-yl]piperidin-4-yl]methoxy]benzoic acid
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| Structure |
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| Formula |
C33H30N4O5
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| Molecular Weight |
562.626
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| Canonical SMILES |
Cc1c(oc2ccc(cc12)-c1ccccc1)C(=O)Nc1cnc(nc1)N1CCC(COc2cccc(c2)C(O)=O)CC1
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| InChI |
InChI=1S/C33H30N4O5/c1-21-28-17-24(23-6-3-2-4-7-23)10-11-29(28)42-30(21)31(38)36-26-18-34-33(35-19-26)37-14-12-22(13-15-37)20-41-27-9-5-8-25(16-27)32(39)40/h2-11,16-19,22H,12-15,20H2,1H3,(H,36,38)(H,39,40)
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| InChIKey |
QCIXYCUEDNMSCZ-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