General Information of the Compound
| Compound ID |
CP0537131
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| Compound Name |
4-[6,7-Bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid [4-(naphthalen-2-yloxy)-phenyl]-amide
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| Structure |
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| Formula |
C35H37N5O6
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| Molecular Weight |
623.71
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| Canonical SMILES |
COCCOc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Oc4ccc5ccccc5c4)cc3)c2cc1OCCOC
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| InChI |
InChI=1S/C35H37N5O6/c1-42-17-19-44-32-22-30-31(23-33(32)45-20-18-43-2)36-24-37-34(30)39-13-15-40(16-14-39)35(41)38-27-8-11-28(12-9-27)46-29-10-7-25-5-3-4-6-26(25)21-29/h3-12,21-24H,13-20H2,1-2H3,(H,38,41)
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| InChIKey |
ZJRFJBGGCVUGPL-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