General Information of the Compound
| Compound ID |
CP0492656
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| Compound Name |
3-[[4-[2-[5-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)indole-2-carbonyl]pentyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C32H31ClN2O6
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| Molecular Weight |
575.061
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| Canonical SMILES |
CCCC(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc2OCCOc2c1
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| InChI |
InChI=1S/C32H31ClN2O6/c1-2-3-22(16-20-4-6-21(7-5-20)32(39)34-13-12-30(36)37)31(38)27-18-23-17-24(33)8-10-26(23)35(27)25-9-11-28-29(19-25)41-15-14-40-28/h4-11,17-19,22H,2-3,12-16H2,1H3,(H,34,39)(H,36,37)
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| InChIKey |
UGJSUBXSNTWCHH-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