General Information of the Compound
| Compound ID |
CP0515067
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| Compound Name |
4-[7-(2-Methoxy-ethoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-phenoxy-phenyl)-amide
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| Structure |
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| Formula |
C28H29N5O4
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| Molecular Weight |
499.571
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| Canonical SMILES |
COCCOc1ccc2c(ncnc2c1)N1CCN(CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C28H29N5O4/c1-35-17-18-36-24-11-12-25-26(19-24)29-20-30-27(25)32-13-15-33(16-14-32)28(34)31-21-7-9-23(10-8-21)37-22-5-3-2-4-6-22/h2-12,19-20H,13-18H2,1H3,(H,31,34)
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| InChIKey |
QMHCAQOWKYLXNZ-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