General Information of the Compound
| Compound ID |
CP0445949
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| Compound Name |
N-[3-[2-[4-(4-ethylpiperazin-1-yl)-2-methoxyanilino]purin-9-yl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C27H30N8O2
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| Molecular Weight |
498.591
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| Canonical SMILES |
CCN1CCN(CC1)c1ccc(Nc2ncc3ncn(-c4cccc(NC(=O)C=C)c4)c3n2)c(OC)c1
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| InChI |
InChI=1S/C27H30N8O2/c1-4-25(36)30-19-7-6-8-21(15-19)35-18-29-23-17-28-27(32-26(23)35)31-22-10-9-20(16-24(22)37-3)34-13-11-33(5-2)12-14-34/h4,6-10,15-18H,1,5,11-14H2,2-3H3,(H,30,36)(H,28,31,32)
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| InChIKey |
GVFZOGXWEPKQPH-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