General Information of the Compound
| Compound ID |
CP0449649
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| Compound Name |
4-[6,7-Bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-p-tolyloxy-phenyl)-amide
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| Structure |
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| Formula |
C32H37N5O6
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| Molecular Weight |
587.677
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| Canonical SMILES |
COCCOc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Oc4ccc(C)cc4)cc3)c2cc1OCCOC
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| InChI |
InChI=1S/C32H37N5O6/c1-23-4-8-25(9-5-23)43-26-10-6-24(7-11-26)35-32(38)37-14-12-36(13-15-37)31-27-20-29(41-18-16-39-2)30(42-19-17-40-3)21-28(27)33-22-34-31/h4-11,20-22H,12-19H2,1-3H3,(H,35,38)
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| InChIKey |
SLAQSCINOGHRAR-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