General Information of the Compound
| Compound ID |
CP0562085
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| Compound Name |
(+/-)-trans-benzyl-3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentylcarbamate
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| Structure |
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| Formula |
C28H25F6NO3
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| Molecular Weight |
537.5
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| Canonical SMILES |
FC(F)(F)c1cc(CO[C@H]2CC[C@@H](NC(=O)OCc3ccccc3)[C@@H]2c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C28H25F6NO3/c29-27(30,31)21-13-19(14-22(15-21)28(32,33)34)17-37-24-12-11-23(25(24)20-9-5-2-6-10-20)35-26(36)38-16-18-7-3-1-4-8-18/h1-10,13-15,23-25H,11-12,16-17H2,(H,35,36)/t23-,24+,25+/m1/s1
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| InChIKey |
MLFSLAIOJHSNOR-DSITVLBTSA-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