General Information of the Compound
| Compound ID |
CP0561828
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| Compound Name |
2-[1-[(2S)-2-[(S)-(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentyl]pyrazol-4-yl]acetic acid
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| Structure |
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| Formula |
C26H32N2O5
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| Molecular Weight |
452.551
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| Canonical SMILES |
COc1cc(cc(OC)c1C)[C@@H](O)[C@@H](CCCc1ccccc1)Cn1cc(CC(O)=O)cn1
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| InChI |
InChI=1S/C26H32N2O5/c1-18-23(32-2)13-22(14-24(18)33-3)26(31)21(11-7-10-19-8-5-4-6-9-19)17-28-16-20(15-27-28)12-25(29)30/h4-6,8-9,13-16,21,26,31H,7,10-12,17H2,1-3H3,(H,29,30)/t21-,26-/m0/s1
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| InChIKey |
WAVYTOFLIDPOOB-LVXARBLLSA-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