General Information of the Compound
| Compound ID |
CP0165499
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| Compound Name |
3-[2-[5-methyl-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-3-oxopropanenitrile
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| Structure |
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| Formula |
C24H25N5O5
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| Molecular Weight |
463.494
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| Canonical SMILES |
COc1cc(Nc2ncc(C)c(n2)-c2cc3CN(CCc3o2)C(=O)CC#N)cc(OC)c1OC
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| InChI |
InChI=1S/C24H25N5O5/c1-14-12-26-24(27-16-10-19(31-2)23(33-4)20(11-16)32-3)28-22(14)18-9-15-13-29(21(30)5-7-25)8-6-17(15)34-18/h9-12H,5-6,8,13H2,1-4H3,(H,26,27,28)
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| InChIKey |
AUQFDENAUUIHBT-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