General Information of the Compound
| Compound ID |
CP0577661
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| Compound Name |
5-cyclopropyl-1-[3-[(1R,3S)-3-(dimethylcarbamoyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid
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| Structure |
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| Formula |
C22H27N3O3
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| Molecular Weight |
381.476
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| Canonical SMILES |
CN(C)C(=O)[C@H]1CCC[C@H](C1)c1cccc(c1)-n1ncc(C(O)=O)c1C1CC1
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| InChI |
InChI=1S/C22H27N3O3/c1-24(2)21(26)17-7-3-5-15(11-17)16-6-4-8-18(12-16)25-20(14-9-10-14)19(13-23-25)22(27)28/h4,6,8,12-15,17H,3,5,7,9-11H2,1-2H3,(H,27,28)/t15-,17+/m1/s1
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| InChIKey |
YNOQXOCLOKUMBJ-WBVHZDCISA-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