General Information of the Compound
| Compound ID |
CP0082083
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| Compound Name |
(R)-7-[3-(2-Chloro-4-spiro[2.5]oct-6-yl-phenoxy)-propoxy]-2-methyl-chroman-2-carboxylic acid
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| Structure |
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| Formula |
C28H33ClO5
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| Molecular Weight |
485.02
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| Canonical SMILES |
C[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCC4(CC4)CC3)cc2O1)C(O)=O
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| InChI |
InChI=1S/C28H33ClO5/c1-27(26(30)31)10-7-20-3-5-22(18-25(20)34-27)32-15-2-16-33-24-6-4-21(17-23(24)29)19-8-11-28(12-9-19)13-14-28/h3-6,17-19H,2,7-16H2,1H3,(H,30,31)/t27-/m1/s1
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| InChIKey |
LTESPEAYFMUEAV-HHHXNRCGSA-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