General Information of the Compound
| Compound ID |
CP0574750
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| Compound Name |
6-[2-(dimethylamino)ethoxy]-N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C27H34N6OS
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| Molecular Weight |
490.677
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| Canonical SMILES |
CC(Nc1nc(C)nc2cnc(OCCN(C)C)cc12)c1ccc(s1)-c1ccccc1CN(C)C
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| InChI |
InChI=1S/C27H34N6OS/c1-18(24-11-12-25(35-24)21-10-8-7-9-20(21)17-33(5)6)29-27-22-15-26(34-14-13-32(3)4)28-16-23(22)30-19(2)31-27/h7-12,15-16,18H,13-14,17H2,1-6H3,(H,29,30,31)
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| InChIKey |
RWUUTVZPCZBYDQ-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