General Information of the Compound
| Compound ID |
CP0455378
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| Compound Name |
N-[3-[5-ethyl-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-6,7-dioxopteridin-8-yl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C29H32N8O4
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| Molecular Weight |
556.627
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| Canonical SMILES |
CCn1c2cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc2n(-c2cccc(NC(=O)C=C)c2)c(=O)c1=O
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| InChI |
InChI=1S/C29H32N8O4/c1-5-25(38)31-19-8-7-9-21(16-19)37-26-23(36(6-2)27(39)28(37)40)18-30-29(33-26)32-22-11-10-20(17-24(22)41-4)35-14-12-34(3)13-15-35/h5,7-11,16-18H,1,6,12-15H2,2-4H3,(H,31,38)(H,30,32,33)
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| InChIKey |
LKQWOHYTZVPINL-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