General Information of the Compound
| Compound ID |
CP0104587
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| Compound Name |
(S)-2-(4-(3-(2-chloro-4-(4,4-dimethylcyclohexyl)phenoxy)propoxy)benzyl)-2-methylbutanoic acid
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| Structure |
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| Formula |
C29H39ClO4
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| Molecular Weight |
487.08
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| Canonical SMILES |
CC[C@@](C)(Cc1ccc(OCCCOc2ccc(cc2Cl)C2CCC(C)(C)CC2)cc1)C(O)=O
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| InChI |
InChI=1S/C29H39ClO4/c1-5-29(4,27(31)32)20-21-7-10-24(11-8-21)33-17-6-18-34-26-12-9-23(19-25(26)30)22-13-15-28(2,3)16-14-22/h7-12,19,22H,5-6,13-18,20H2,1-4H3,(H,31,32)/t29-/m0/s1
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| InChIKey |
RNSOHSLRYRPYTQ-LJAQVGFWSA-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