General Information of the Compound
| Compound ID |
CP0538443
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| Compound Name |
6-(4-chlorophenyl)-3-[6-(1-pyrrolidinylcarbonyl)-2-naphthalenyl]thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C27H20ClN3O2S
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| Molecular Weight |
485.996
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc2ncn(-c3ccc4cc(ccc4c3)C(=O)N3CCCC3)c(=O)c2s1
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| InChI |
InChI=1S/C27H20ClN3O2S/c28-21-8-5-17(6-9-21)24-15-23-25(34-24)27(33)31(16-29-23)22-10-7-18-13-20(4-3-19(18)14-22)26(32)30-11-1-2-12-30/h3-10,13-16H,1-2,11-12H2
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| InChIKey |
GZTRTESDPOCGER-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