General Information of the Compound
| Compound ID |
CP0415645
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| Compound Name |
(3S)-3-cyclopropyl-3-[3-[[3-[(2R)-3,3-dimethyloxan-2-yl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C33H37FO5
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| Molecular Weight |
532.652
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cc1[C@@H]1OCCCC1(C)C
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| InChI |
InChI=1S/C33H37FO5/c1-33(2)14-5-15-38-32(33)29-16-21(8-12-26(29)28-18-24(37-3)11-13-30(28)34)20-39-25-7-4-6-23(17-25)27(19-31(35)36)22-9-10-22/h4,6-8,11-13,16-18,22,27,32H,5,9-10,14-15,19-20H2,1-3H3,(H,35,36)/t27-,32-/m0/s1
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| InChIKey |
ZWXPILSVQZXXPN-UCGGBYDDSA-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