General Information of the Compound
| Compound ID |
CP0518096
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| Compound Name |
6-(4-chlorophenyl)-3-[2-({4-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl}methyl)-6-quinolinyl]thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C33H34ClN5OS
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| Molecular Weight |
584.189
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc2ncn(-c3ccc4nc(CN5CCC(CCN6CCCC6)CC5)ccc4c3)c(=O)c2s1
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| InChI |
InChI=1S/C33H34ClN5OS/c34-26-6-3-24(4-7-26)31-20-30-32(41-31)33(40)39(22-35-30)28-9-10-29-25(19-28)5-8-27(36-29)21-38-17-12-23(13-18-38)11-16-37-14-1-2-15-37/h3-10,19-20,22-23H,1-2,11-18,21H2
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| InChIKey |
YTPPVLMNPFESTM-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