General Information of the Compound
| Compound ID |
CP0532726
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| Compound Name |
2-[4-[(1S)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-phenylethyl]piperazin-1-yl]acetic acid
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| Structure |
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| Formula |
C24H26F6N2O3
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| Molecular Weight |
504.471
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| Canonical SMILES |
C[C@H](OC[C@@H](N1CCN(CC(O)=O)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C24H26F6N2O3/c1-16(18-11-19(23(25,26)27)13-20(12-18)24(28,29)30)35-15-21(17-5-3-2-4-6-17)32-9-7-31(8-10-32)14-22(33)34/h2-6,11-13,16,21H,7-10,14-15H2,1H3,(H,33,34)/t16-,21+/m0/s1
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| InChIKey |
WOLHPOWZBHRGTD-HRAATJIYSA-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