General Information of the Compound
| Compound ID |
CP0381055
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| Compound Name |
4-(6,7,8-Trimethoxy-quinazolin-4-yl)-piperazine-1-carboxylic acid (4-phenoxy-phenyl)-amide
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| Structure |
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| Formula |
C28H29N5O5
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| Molecular Weight |
515.57
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| Canonical SMILES |
COc1cc2c(ncnc2c(OC)c1OC)N1CCN(CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C28H29N5O5/c1-35-23-17-22-24(26(37-3)25(23)36-2)29-18-30-27(22)32-13-15-33(16-14-32)28(34)31-19-9-11-21(12-10-19)38-20-7-5-4-6-8-20/h4-12,17-18H,13-16H2,1-3H3,(H,31,34)
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| InChIKey |
MTLNPRKKDUJXSR-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