General Information of the Compound
| Compound ID |
CP0458194
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| Compound Name |
N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-2-methyl-6-propoxypyrido[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C26H31N5OS
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| Molecular Weight |
461.635
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| Canonical SMILES |
CCCOc1cc2c(NC(C)c3ccc(s3)-c3ccccc3CN(C)C)nc(C)nc2cn1
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| InChI |
InChI=1S/C26H31N5OS/c1-6-13-32-25-14-21-22(15-27-25)29-18(3)30-26(21)28-17(2)23-11-12-24(33-23)20-10-8-7-9-19(20)16-31(4)5/h7-12,14-15,17H,6,13,16H2,1-5H3,(H,28,29,30)
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| InChIKey |
OYXKTCOUEOXERD-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