General Information of the Compound
| Compound ID |
CP0525823
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| Compound Name |
(+/-)-trans-1-((3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentyl)methyl)piperidine
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| Structure |
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| Formula |
C26H29F6NO
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| Molecular Weight |
485.512
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| Canonical SMILES |
FC(F)(F)c1cc(CO[C@H]2CC[C@@H](CN3CCCCC3)[C@@H]2c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H29F6NO/c27-25(28,29)21-13-18(14-22(15-21)26(30,31)32)17-34-23-10-9-20(16-33-11-5-2-6-12-33)24(23)19-7-3-1-4-8-19/h1,3-4,7-8,13-15,20,23-24H,2,5-6,9-12,16-17H2/t20-,23-,24-/m0/s1
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| InChIKey |
WEQFWNUSYJUVBN-OYDLWJJNSA-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