General Information of the Compound
| Compound ID |
CP0262738
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| Compound Name |
N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-methyl-3-oxo-2-phenyl-5-(pyrrolidin-1-ylmethyl)pyrazole-4-carboxamide
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| Structure |
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| Formula |
C32H30FN5O4
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| Molecular Weight |
567.621
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| Canonical SMILES |
COc1ccc2c(Oc3ccc(NC(=O)c4c(CN5CCCC5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1
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| InChI |
InChI=1S/C32H30FN5O4/c1-36-27(20-37-16-6-7-17-37)30(32(40)38(36)22-8-4-3-5-9-22)31(39)35-21-10-13-29(25(33)18-21)42-28-14-15-34-26-19-23(41-2)11-12-24(26)28/h3-5,8-15,18-19H,6-7,16-17,20H2,1-2H3,(H,35,39)
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| InChIKey |
YRCSFWQLJFRPEI-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