General Information of the Compound
| Compound ID |
CP0272759
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| Compound Name |
N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-methyl-3-oxo-2-phenyl-5-[(2S)-pyrrolidin-2-yl]pyrazole-4-carboxamide
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| Structure |
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| Formula |
C31H28FN5O4
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| Molecular Weight |
553.594
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| Canonical SMILES |
COc1ccc2c(Oc3ccc(NC(=O)c4c([C@@H]5CCCN5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1
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| InChI |
InChI=1S/C31H28FN5O4/c1-36-29(24-9-6-15-33-24)28(31(39)37(36)20-7-4-3-5-8-20)30(38)35-19-10-13-27(23(32)17-19)41-26-14-16-34-25-18-21(40-2)11-12-22(25)26/h3-5,7-8,10-14,16-18,24,33H,6,9,15H2,1-2H3,(H,35,38)/t24-/m0/s1
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| InChIKey |
JLKHWWQNUUOAOS-DEOSSOPVSA-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