General Information of the Compound
| Compound ID |
CP0518098
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| Compound Name |
6-(4-chlorophenyl)-3-(2-{[4-(1-pyrrolidinyl)-1-piperidinyl]-methyl}-6-quinolinyl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C31H30ClN5OS
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| Molecular Weight |
556.135
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc2ncn(-c3ccc4nc(CN5CCC(CC5)N5CCCC5)ccc4c3)c(=O)c2s1
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| InChI |
InChI=1S/C31H30ClN5OS/c32-23-6-3-21(4-7-23)29-18-28-30(39-29)31(38)37(20-33-28)26-9-10-27-22(17-26)5-8-24(34-27)19-35-15-11-25(12-16-35)36-13-1-2-14-36/h3-10,17-18,20,25H,1-2,11-16,19H2
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| InChIKey |
XVPLTHLIILJYMD-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