General Information of the Compound
| Compound ID |
CP0387402
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| Compound Name |
4-[2-[[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
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| Structure |
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| Formula |
C24H25N7OS
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| Molecular Weight |
459.579
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| Canonical SMILES |
Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3c[nH]cn3)CC2)nc2ccsc12)C#N
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| InChI |
InChI=1S/C24H25N7OS/c1-15-9-17(11-25)10-16(2)21(15)32-23-22-20(5-8-33-22)29-24(30-23)28-18-3-6-31(7-4-18)13-19-12-26-14-27-19/h5,8-10,12,14,18H,3-4,6-7,13H2,1-2H3,(H,26,27)(H,28,29,30)
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| InChIKey |
XNKOXOVQENJNQC-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