General Information of the Compound
| Compound ID |
CP0416866
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| Compound Name |
3-methoxy-N-[2-[2-methoxy-4-(4-methylpiperazin-1-yl)-5-(prop-2-enoylamino)anilino]pyrimidin-4-yl]benzamide
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| Structure |
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| Formula |
C27H31N7O4
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| Molecular Weight |
517.59
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| Canonical SMILES |
COc1cccc(c1)C(=O)Nc1ccnc(Nc2cc(NC(=O)C=C)c(cc2OC)N2CCN(C)CC2)n1
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| InChI |
InChI=1S/C27H31N7O4/c1-5-25(35)29-20-16-21(23(38-4)17-22(20)34-13-11-33(2)12-14-34)30-27-28-10-9-24(32-27)31-26(36)18-7-6-8-19(15-18)37-3/h5-10,15-17H,1,11-14H2,2-4H3,(H,29,35)(H2,28,30,31,32,36)
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| InChIKey |
SSVNZWIKGPQISS-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