General Information of the Compound
| Compound ID |
CP0391255
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| Compound Name |
4-(6,7-Dimethoxy-2-morpholin-4-yl-quinazolin-4-yl)-piperazine-1-carboxylic acid (4-phenoxy-phenyl)-amide
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| Structure |
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| Formula |
C31H34N6O5
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| Molecular Weight |
570.65
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| Canonical SMILES |
COc1cc2nc(nc(N3CCN(CC3)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2cc1OC)N1CCOCC1
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| InChI |
InChI=1S/C31H34N6O5/c1-39-27-20-25-26(21-28(27)40-2)33-30(36-16-18-41-19-17-36)34-29(25)35-12-14-37(15-13-35)31(38)32-22-8-10-24(11-9-22)42-23-6-4-3-5-7-23/h3-11,20-21H,12-19H2,1-2H3,(H,32,38)
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| InChIKey |
TVRADXVJUWRKGV-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