General Information of the Compound
| Compound ID |
CP0538840
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| Compound Name |
N-(2-aminophenyl)-5-[4-[2-[3-(1-methylpyrazol-4-yl)-6-oxopyridazin-1-yl]ethoxy]quinolin-7-yl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C30H25N7O3S
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| Molecular Weight |
563.643
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc(=O)n(CCOc2ccnc3cc(ccc23)-c2ccc(s2)C(=O)Nc2ccccc2N)n1
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| InChI |
InChI=1S/C30H25N7O3S/c1-36-18-20(17-33-36)23-8-11-29(38)37(35-23)14-15-40-26-12-13-32-25-16-19(6-7-21(25)26)27-9-10-28(41-27)30(39)34-24-5-3-2-4-22(24)31/h2-13,16-18H,14-15,31H2,1H3,(H,34,39)
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| InChIKey |
GIGLKJOCNUGOJM-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