General Information of the Compound
| Compound ID |
CP0553746
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| Compound Name |
6-(4-chlorophenyl)-3-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]-methyl}-1-benzothien-5-yl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C25H20ClN3O2S2
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| Molecular Weight |
494.041
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| Canonical SMILES |
O[C@@H]1CCN(Cc2cc3cc(ccc3s2)-n2cnc3cc(sc3c2=O)-c2ccc(Cl)cc2)C1
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| InChI |
InChI=1S/C25H20ClN3O2S2/c26-17-3-1-15(2-4-17)23-11-21-24(33-23)25(31)29(14-27-21)18-5-6-22-16(9-18)10-20(32-22)13-28-8-7-19(30)12-28/h1-6,9-11,14,19,30H,7-8,12-13H2/t19-/m1/s1
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| InChIKey |
ZDFHQJRHOKOKEF-LJQANCHMSA-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