General Information of the Compound
| Compound ID |
CP0911447
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| Compound Name |
4-(4-{3-[4-(3,4-Dimethoxy-phenylamino)-6-methoxy-quinazolin-7-yloxy]-propoxy}-phenyl)-[1,2]dithiole-3-thione
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| Formula |
C29H27N3O5S3
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| Molecular Weight |
593.752
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| Canonical SMILES |
COc1ccc(Nc2ncnc3cc(OCCCOc4ccc(-c5cssc5=S)cc4)c(OC)cc23)cc1OC
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| InChI |
InChI=1S/C29H27N3O5S3/c1-33-24-10-7-19(13-25(24)34-2)32-28-21-14-26(35-3)27(15-23(21)30-17-31-28)37-12-4-11-36-20-8-5-18(6-9-20)22-16-39-40-29(22)38/h5-10,13-17H,4,11-12H2,1-3H3,(H,30,31,32)
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| InChIKey |
YGVJUDRLYCMUSE-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
Protein ID: PT00922, Epidermal growth factor receptor
Cell-based Assay
Protein ID: PT01605, Epidermal growth factor receptor