General Information of the Compound
| Compound ID |
CP0854588
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| Compound Name |
3-(4-(4-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzyloxy)phenyl)hex-4-ynoic acid
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| Structure |
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| Formula |
C29H27NO4
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| Molecular Weight |
453.538
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| Canonical SMILES |
CC#CC(CC(=O)O)c1ccc(OCc2ccc(C(=O)N3CCc4ccccc4C3)cc2)cc1
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| InChI |
InChI=1S/C29H27NO4/c1-2-5-25(18-28(31)32)23-12-14-27(15-13-23)34-20-21-8-10-24(11-9-21)29(33)30-17-16-22-6-3-4-7-26(22)19-30/h3-4,6-15,25H,16-20H2,1H3,(H,31,32)
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| InChIKey |
OLTOKYDMDAPWFC-UHFFFAOYSA-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