General Information of the Compound
| Compound ID |
CP0457216
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| Compound Name |
(3S)-3-cyclopropyl-3-[2-(4-phenylphenyl)-3,4-dihydro-2H-chromen-7-yl]propanoic acid
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| Structure |
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| Formula |
C27H26O3
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| Molecular Weight |
398.502
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| Canonical SMILES |
OC(=O)C[C@@H](C1CC1)c1ccc2CCC(Oc2c1)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C27H26O3/c28-27(29)17-24(20-8-9-20)23-13-12-22-14-15-25(30-26(22)16-23)21-10-6-19(7-11-21)18-4-2-1-3-5-18/h1-7,10-13,16,20,24-25H,8-9,14-15,17H2,(H,28,29)/t24-,25?/m0/s1
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| InChIKey |
CPGRWGLOIUMQIF-SKCDSABHSA-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