General Information of the Compound
| Compound ID |
CP0389082
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| Compound Name |
N-[3-[2-[4-[2-(dimethylamino)ethoxy]-2-methoxyanilino]-6,7-dioxo-5-propan-2-ylpteridin-8-yl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C29H33N7O5
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| Molecular Weight |
559.627
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| Canonical SMILES |
COc1cc(OCCN(C)C)ccc1Nc1ncc2n(C(C)C)c(=O)c(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1
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| InChI |
InChI=1S/C29H33N7O5/c1-7-25(37)31-19-9-8-10-20(15-19)36-26-23(35(18(2)3)27(38)28(36)39)17-30-29(33-26)32-22-12-11-21(16-24(22)40-6)41-14-13-34(4)5/h7-12,15-18H,1,13-14H2,2-6H3,(H,31,37)(H,30,32,33)
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| InChIKey |
WSUUQWSGDOKKOY-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