General Information of the Compound
| Compound ID |
CP0391866
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| Compound Name |
N-(2-aminophenyl)-6-[4-[2-[3-(1-methylpyrazol-4-yl)-6-oxopyridazin-1-yl]ethoxy]quinolin-7-yl]oxyhexanamide
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| Structure |
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| Formula |
C31H33N7O4
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| Molecular Weight |
567.65
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc(=O)n(CCOc2ccnc3cc(OCCCCCC(=O)Nc4ccccc4N)ccc23)n1
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| InChI |
InChI=1S/C31H33N7O4/c1-37-21-22(20-34-37)26-12-13-31(40)38(36-26)16-18-42-29-14-15-33-28-19-23(10-11-24(28)29)41-17-6-2-3-9-30(39)35-27-8-5-4-7-25(27)32/h4-5,7-8,10-15,19-21H,2-3,6,9,16-18,32H2,1H3,(H,35,39)
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| InChIKey |
QAGVTWHQXWRSFS-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