General Information of the Compound
| Compound ID |
CP0442305
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| Compound Name |
4-[6-Methoxy-7-(3-pyrrolidin-1-yl-propoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-cyano-phenyl)-amide
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| Structure |
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| Formula |
C28H33N7O3
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| Molecular Weight |
515.618
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCN1CCCC1)N1CCN(CC1)C(=O)Nc1ccc(cc1)C#N
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| InChI |
InChI=1S/C28H33N7O3/c1-37-25-17-23-24(18-26(25)38-16-4-11-33-9-2-3-10-33)30-20-31-27(23)34-12-14-35(15-13-34)28(36)32-22-7-5-21(19-29)6-8-22/h5-8,17-18,20H,2-4,9-16H2,1H3,(H,32,36)
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| InChIKey |
GUSXMRDZDGNCQK-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