General Information of the Compound
| Compound ID |
CP0440900
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| Compound Name |
(2S)-2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid
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| Structure |
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| Formula |
C26H28FN3O5
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| Molecular Weight |
481.524
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| Canonical SMILES |
COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](C1CCCCC1)C(O)=O
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| InChI |
InChI=1S/C26H28FN3O5/c1-34-21-9-6-10-22(35-2)23(21)20-15-19(29-30(20)18-13-11-17(27)12-14-18)25(31)28-24(26(32)33)16-7-4-3-5-8-16/h6,9-16,24H,3-5,7-8H2,1-2H3,(H,28,31)(H,32,33)/t24-/m0/s1
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| InChIKey |
WXWDASPOKBCBCE-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