General Information of the Compound
| Compound ID |
CP0576127
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| Compound Name |
4-[7-methoxy-6-(4-methoxybut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
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| Structure |
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| Formula |
C27H22N4O5
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| Molecular Weight |
482.496
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| Canonical SMILES |
COCC#CC(=O)Nc1cc2c(Oc3ccc(cc3)C(=O)Nc3ccccn3)ccnc2cc1OC
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| InChI |
InChI=1S/C27H22N4O5/c1-34-15-5-7-26(32)30-22-16-20-21(17-24(22)35-2)28-14-12-23(20)36-19-10-8-18(9-11-19)27(33)31-25-6-3-4-13-29-25/h3-4,6,8-14,16-17H,15H2,1-2H3,(H,30,32)(H,29,31,33)
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| InChIKey |
LALIRRMNYUKDAI-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