General Information of the Compound
| Compound ID |
CP0494047
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| Compound Name |
3,5-dimethyl-4-[2-[[1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]oxybenzonitrile
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| Structure |
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| Formula |
C31H34N6OS
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| Molecular Weight |
538.721
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| Canonical SMILES |
Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)N3CCCC3)CC2)nc2ccsc12)C#N
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| InChI |
InChI=1S/C31H34N6OS/c1-21-17-24(19-32)18-22(2)28(21)38-30-29-27(11-16-39-29)34-31(35-30)33-25-9-14-36(15-10-25)20-23-5-7-26(8-6-23)37-12-3-4-13-37/h5-8,11,16-18,25H,3-4,9-10,12-15,20H2,1-2H3,(H,33,34,35)
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| InChIKey |
XLCBVJOBQQWYJB-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