General Information of the Compound
| Compound ID |
CP0078127
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| Compound Name |
N-[3-[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-6,7-dioxo-5-propan-2-ylpteridin-8-yl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C30H34N8O4
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| Molecular Weight |
570.654
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2n(C(C)C)c(=O)c(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C30H34N8O4/c1-6-26(39)32-20-8-7-9-22(16-20)38-27-24(37(19(2)3)28(40)29(38)41)18-31-30(34-27)33-23-11-10-21(17-25(23)42-5)36-14-12-35(4)13-15-36/h6-11,16-19H,1,12-15H2,2-5H3,(H,32,39)(H,31,33,34)
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| InChIKey |
LDDDGIHXYBWEAR-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