General Information of the Compound
| Compound ID |
CP0477577
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| Compound Name |
2-[1-[(2S)-2-[(S)-(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-thiophen-3-ylpentyl]pyrrol-3-yl]acetic acid
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| Structure |
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| Formula |
C25H31NO5S
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| Molecular Weight |
457.592
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| Canonical SMILES |
COc1cc(cc(OC)c1C)[C@@H](O)[C@@H](CCCc1ccsc1)Cn1ccc(CC(O)=O)c1
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| InChI |
InChI=1S/C25H31NO5S/c1-17-22(30-2)12-21(13-23(17)31-3)25(29)20(6-4-5-18-8-10-32-16-18)15-26-9-7-19(14-26)11-24(27)28/h7-10,12-14,16,20,25,29H,4-6,11,15H2,1-3H3,(H,27,28)/t20-,25-/m0/s1
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| InChIKey |
PWTZKBIOFQRZGW-CPJSRVTESA-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