General Information of the Compound
| Compound ID |
CP0428184
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| Compound Name |
6-(4-chlorophenyl)-3-[6-(1-piperidinylmethyl)-2-naphthalenyl]thieno[3,2-d]pyrimidin-4(3H)-one
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| Synonyms |
BDBM50199266
GTPL1306
PMID17125263C17
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| Structure |
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| Formula |
C28H24ClN3OS
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| Molecular Weight |
486.04
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc2ncn(-c3ccc4cc(CN5CCCCC5)ccc4c3)c(=O)c2s1
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| InChI |
InChI=1S/C28H24ClN3OS/c29-23-9-6-20(7-10-23)26-16-25-27(34-26)28(33)32(18-30-25)24-11-8-21-14-19(4-5-22(21)15-24)17-31-12-2-1-3-13-31/h4-11,14-16,18H,1-3,12-13,17H2
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| InChIKey |
FJPBPFUKHDZYIJ-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
Clinical Information about the Compound