General Information of the Compound
| Compound ID |
CP0527691
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| Compound Name |
4-[6-(2-Methoxy-ethoxy)-7-(2-pyrrolidin-1-yl-ethoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)-amide
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| Structure |
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| Formula |
C31H42N6O5
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| Molecular Weight |
578.714
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| Canonical SMILES |
COCCOc1cc2c(ncnc2cc1OCCN1CCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
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| InChI |
InChI=1S/C31H42N6O5/c1-23(2)42-25-8-6-24(7-9-25)34-31(38)37-14-12-36(13-15-37)30-26-20-28(41-19-18-39-3)29(21-27(26)32-22-33-30)40-17-16-35-10-4-5-11-35/h6-9,20-23H,4-5,10-19H2,1-3H3,(H,34,38)
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| InChIKey |
MNVYQZRCGVZHNJ-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