General Information of the Compound
| Compound ID |
CP0453412
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| Compound Name |
(2S,3S)-1-Benzyl-3-(3,5-bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidine
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| Structure |
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| Formula |
C27H25F6NO
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| Molecular Weight |
493.491
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| Canonical SMILES |
FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3ccccc3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C27H25F6NO/c28-26(29,30)22-14-20(15-23(16-22)27(31,32)33)18-35-24-12-7-13-34(17-19-8-3-1-4-9-19)25(24)21-10-5-2-6-11-21/h1-6,8-11,14-16,24-25H,7,12-13,17-18H2/t24-,25-/m0/s1
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| InChIKey |
JFKWNUOGNLIQPF-DQEYMECFSA-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