General Information of the Compound
| Compound ID |
CP0518095
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| Compound Name |
6-(4-chlorophenyl)-3-[2-({4-[3-(4-morpholinyl)propyl]-1-piperazinyl}methyl)-6-quinolinyl]thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C33H35ClN6O2S
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| Molecular Weight |
615.203
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc2ncn(-c3ccc4nc(CN5CCN(CCCN6CCOCC6)CC5)ccc4c3)c(=O)c2s1
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| InChI |
InChI=1S/C33H35ClN6O2S/c34-26-5-2-24(3-6-26)31-21-30-32(43-31)33(41)40(23-35-30)28-8-9-29-25(20-28)4-7-27(36-29)22-39-14-12-37(13-15-39)10-1-11-38-16-18-42-19-17-38/h2-9,20-21,23H,1,10-19,22H2
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| InChIKey |
CXZNETVGABHSHU-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