General Information of the Compound
| Compound ID |
CP0374053
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| Compound Name |
[4-(6-ethyl-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
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| Structure |
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| Formula |
C29H32N6OS
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| Molecular Weight |
512.683
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| Canonical SMILES |
CCc1cc2c(nc(nc2s1)N1CCNCC1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C29H32N6OS/c1-2-24-20-25-26(31-29(32-27(25)37-24)35-14-12-30-13-15-35)33-16-18-34(19-17-33)28(36)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-11,20,30H,2,12-19H2,1H3
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| InChIKey |
LVTKZEJEKSQHMI-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