General Information of the Compound
| Compound ID |
CP0447581
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| Compound Name |
1-(4-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl)piperazin-1-yl)-2,2,2-trifluoroethanone
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| Structure |
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| Formula |
C31H31F3N6O2S
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| Molecular Weight |
608.69
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| Canonical SMILES |
CCc1cc2c(nc(nc2s1)N1CCN(CC1)C(=O)C(F)(F)F)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C31H31F3N6O2S/c1-2-24-20-25-26(35-30(36-27(25)43-24)40-18-16-39(17-19-40)29(42)31(32,33)34)37-12-14-38(15-13-37)28(41)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-11,20H,2,12-19H2,1H3
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| InChIKey |
LBHPRXIANDIFJO-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