General Information of the Compound
| Compound ID |
CP0536732
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| Compound Name |
6-(4-chlorophenyl)-3-[2-({4-[2-(4-morpholinyl)ethyl]-1-piperazinyl}methyl)-6-quinolinyl]thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C32H33ClN6O2S
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| Molecular Weight |
601.176
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc2ncn(-c3ccc4nc(CN5CCN(CCN6CCOCC6)CC5)ccc4c3)c(=O)c2s1
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| InChI |
InChI=1S/C32H33ClN6O2S/c33-25-4-1-23(2-5-25)30-20-29-31(42-30)32(40)39(22-34-29)27-7-8-28-24(19-27)3-6-26(35-28)21-38-13-11-36(12-14-38)9-10-37-15-17-41-18-16-37/h1-8,19-20,22H,9-18,21H2
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| InChIKey |
ASNHGCOBIVDYRD-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