General Information of the Compound
| Compound ID |
CP0453479
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| Compound Name |
4-[6-(2-Methoxy-ethoxy)-7-(2-piperidin-1-yl-ethoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-cyano-phenyl)-amide
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| Structure |
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| Formula |
C30H37N7O4
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| Molecular Weight |
559.671
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| Canonical SMILES |
COCCOc1cc2c(ncnc2cc1OCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(cc1)C#N
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| InChI |
InChI=1S/C30H37N7O4/c1-39-17-18-41-27-19-25-26(20-28(27)40-16-15-35-9-3-2-4-10-35)32-22-33-29(25)36-11-13-37(14-12-36)30(38)34-24-7-5-23(21-31)6-8-24/h5-8,19-20,22H,2-4,9-18H2,1H3,(H,34,38)
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| InChIKey |
CRUSCVHGWRDRGJ-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