General Information of the Compound
| Compound ID |
CP0363009
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| Compound Name |
2-[3,5-dimethyl-1-[3-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]pyrazol-4-yl]acetic acid
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| Structure |
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| Formula |
C23H23N3O3
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| Molecular Weight |
389.455
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| Canonical SMILES |
Cc1nn(c(C)c1CC(O)=O)-c1cccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c1
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| InChI |
InChI=1S/C23H23N3O3/c1-14-19(13-22(27)28)15(2)26(25-14)18-10-6-9-17(11-18)24-23(29)21-12-20(21)16-7-4-3-5-8-16/h3-11,20-21H,12-13H2,1-2H3,(H,24,29)(H,27,28)/t20-,21+/m1/s1
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| InChIKey |
MBBITTNSTABUAE-RTWAWAEBSA-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