General Information of the Compound
| Compound ID |
CP0543319
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| Compound Name |
5-cyclopropyl-1-[3-[2-fluoro-3-(3-propylmorpholine-4-carbonyl)phenyl]phenyl]pyrazole-4-carboxylic acid
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| Structure |
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| Formula |
C27H28FN3O4
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| Molecular Weight |
477.536
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| Canonical SMILES |
CCCC1COCCN1C(=O)c1cccc(c1F)-c1cccc(c1)-n1ncc(C(O)=O)c1C1CC1
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| InChI |
InChI=1S/C27H28FN3O4/c1-2-5-20-16-35-13-12-30(20)26(32)22-9-4-8-21(24(22)28)18-6-3-7-19(14-18)31-25(17-10-11-17)23(15-29-31)27(33)34/h3-4,6-9,14-15,17,20H,2,5,10-13,16H2,1H3,(H,33,34)
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| InChIKey |
REFYDNYFCUYJOA-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