General Information of the Compound
| Compound ID |
CP0560045
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| Compound Name |
4-[6-[4-(4-ethylpiperazin-1-yl)but-2-ynoylamino]quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
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| Structure |
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| Formula |
C31H30N6O3
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| Molecular Weight |
534.62
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| Canonical SMILES |
CCN1CCN(CC#CC(=O)Nc2ccc3nccc(Oc4ccc(cc4)C(=O)Nc4ccccn4)c3c2)CC1
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| InChI |
InChI=1S/C31H30N6O3/c1-2-36-18-20-37(21-19-36)17-5-7-30(38)34-24-10-13-27-26(22-24)28(14-16-32-27)40-25-11-8-23(9-12-25)31(39)35-29-6-3-4-15-33-29/h3-4,6,8-16,22H,2,17-21H2,1H3,(H,34,38)(H,33,35,39)
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| InChIKey |
XQTAXOFEPGOWGH-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