General Information of the Compound
| Compound ID |
CP0560046
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| Compound Name |
4-[6-(but-2-ynoylamino)-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
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| Structure |
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| Formula |
C33H34N6O4
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| Molecular Weight |
578.673
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| Canonical SMILES |
CC#CC(=O)Nc1cc2c(Oc3ccc(cc3)C(=O)Nc3ccccn3)ccnc2cc1OCCCN1CCN(C)CC1
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| InChI |
InChI=1S/C33H34N6O4/c1-3-7-32(40)36-28-22-26-27(23-30(28)42-21-6-16-39-19-17-38(2)18-20-39)34-15-13-29(26)43-25-11-9-24(10-12-25)33(41)37-31-8-4-5-14-35-31/h4-5,8-15,22-23H,6,16-21H2,1-2H3,(H,36,40)(H,35,37,41)
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| InChIKey |
LECJZCIWDXDFRT-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