General Information of the Compound
| Compound ID |
CP0389081
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| Compound Name |
N-[3-[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-6,7-dioxo-5H-pteridin-8-yl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C27H28N8O4
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| Molecular Weight |
528.573
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2[nH]c(=O)c(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C27H28N8O4/c1-4-23(36)29-17-6-5-7-19(14-17)35-24-21(30-25(37)26(35)38)16-28-27(32-24)31-20-9-8-18(15-22(20)39-3)34-12-10-33(2)11-13-34/h4-9,14-16H,1,10-13H2,2-3H3,(H,29,36)(H,30,37)(H,28,31,32)
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| InChIKey |
BKPHBKMWPXFKCO-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