General Information of the Compound
| Compound ID |
CP0458105
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| Compound Name |
2-(((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(4-fluorophenyl)cyclopentyl)(methyl)amino)-N,N-dimethylacetamide
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| Structure |
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| Formula |
C26H29F7N2O2
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| Molecular Weight |
534.516
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| Canonical SMILES |
C[C@@H](O[C@H]1CC[C@H]([C@@H]1c1ccc(F)cc1)N(C)CC(=O)N(C)C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C26H29F7N2O2/c1-15(17-11-18(25(28,29)30)13-19(12-17)26(31,32)33)37-22-10-9-21(35(4)14-23(36)34(2)3)24(22)16-5-7-20(27)8-6-16/h5-8,11-13,15,21-22,24H,9-10,14H2,1-4H3/t15-,21-,22+,24+/m1/s1
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| InChIKey |
NWGYXBHPLFBXGE-LMIIYESCSA-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