General Information of the Compound
| Compound ID |
CP0272761
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| Compound Name |
5-[[ethyl(methyl)amino]methyl]-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C31H30FN5O4
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| Molecular Weight |
555.61
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| Canonical SMILES |
CCN(C)Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n(-c2ccccc2)n1C
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| InChI |
InChI=1S/C31H30FN5O4/c1-5-35(2)19-26-29(31(39)37(36(26)3)21-9-7-6-8-10-21)30(38)34-20-11-14-28(24(32)17-20)41-27-15-16-33-25-18-22(40-4)12-13-23(25)27/h6-18H,5,19H2,1-4H3,(H,34,38)
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| InChIKey |
FWXODUHNWANOFN-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