General Information of the Compound
| Compound ID |
CP0541169
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| Compound Name |
N-(2-aminophenyl)-4-[[4-[2-[3-(1-methylpyrazol-4-yl)-6-oxopyridazin-1-yl]ethoxy]quinolin-7-yl]oxymethyl]benzamide
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| Structure |
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| Formula |
C33H29N7O4
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| Molecular Weight |
587.64
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc(=O)n(CCOc2ccnc3cc(OCc4ccc(cc4)C(=O)Nc4ccccc4N)ccc23)n1
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| InChI |
InChI=1S/C33H29N7O4/c1-39-20-24(19-36-39)28-12-13-32(41)40(38-28)16-17-43-31-14-15-35-30-18-25(10-11-26(30)31)44-21-22-6-8-23(9-7-22)33(42)37-29-5-3-2-4-27(29)34/h2-15,18-20H,16-17,21,34H2,1H3,(H,37,42)
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| InChIKey |
QJXVLXFGOHGSRH-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