General Information of the Compound
| Compound ID |
CP0489959
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| Compound Name |
2-[1-[(2S)-2-[(S)-(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentyl]-3,5-dimethylpyrazol-4-yl]acetic acid
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| Structure |
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| Formula |
C28H36N2O5
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| Molecular Weight |
480.605
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| Canonical SMILES |
COc1cc(cc(OC)c1C)[C@@H](O)[C@@H](CCCc1ccccc1)Cn1nc(C)c(CC(O)=O)c1C
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| InChI |
InChI=1S/C28H36N2O5/c1-18-25(34-4)14-23(15-26(18)35-5)28(33)22(13-9-12-21-10-7-6-8-11-21)17-30-20(3)24(16-27(31)32)19(2)29-30/h6-8,10-11,14-15,22,28,33H,9,12-13,16-17H2,1-5H3,(H,31,32)/t22-,28-/m0/s1
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| InChIKey |
WXEBHOOQQVPUFD-DWACAAAGSA-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