General Information of the Compound
| Compound ID |
CP0431765
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| Compound Name |
3-[1-[(2S)-2-[(S)-(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentyl]pyrrol-3-yl]propanoic acid
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| Structure |
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| Formula |
C28H35NO5
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| Molecular Weight |
465.59
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| Canonical SMILES |
COc1cc(cc(OC)c1C)[C@@H](O)[C@@H](CCCc1ccccc1)Cn1ccc(CCC(O)=O)c1
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| InChI |
InChI=1S/C28H35NO5/c1-20-25(33-2)16-24(17-26(20)34-3)28(32)23(11-7-10-21-8-5-4-6-9-21)19-29-15-14-22(18-29)12-13-27(30)31/h4-6,8-9,14-18,23,28,32H,7,10-13,19H2,1-3H3,(H,30,31)/t23-,28-/m0/s1
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| InChIKey |
DUTXCQTZGOUFOK-FIPFOOKPSA-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