General Information of the Compound
| Compound ID |
CP0493100
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| Compound Name |
(1-{(R)-1-{3-[(E)-2-(6-Butyl-pyridin-2-yl)-vinyl]-phenyl}-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid
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| Structure |
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| Formula |
C35H43NO3S
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| Molecular Weight |
557.8
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| Canonical SMILES |
CCCCc1cccc(\C=C\c2cccc(c2)[C@@H](CCc2ccccc2C(C)(C)O)SCC2(CC(O)=O)CC2)n1
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| InChI |
InChI=1S/C35H43NO3S/c1-4-5-13-29-14-9-15-30(36-29)19-17-26-10-8-12-28(23-26)32(40-25-35(21-22-35)24-33(37)38)20-18-27-11-6-7-16-31(27)34(2,3)39/h6-12,14-17,19,23,32,39H,4-5,13,18,20-22,24-25H2,1-3H3,(H,37,38)/b19-17+/t32-/m1/s1
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| InChIKey |
SPRSDGHQROEUPI-CSJUJRMBSA-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