General Information of the Compound
| Compound ID |
CP0540455
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| Compound Name |
tert-butyl 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine-1-carboxylate
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| Structure |
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| Formula |
C26H29F6NO3
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| Molecular Weight |
517.51
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)(CC1)c1ccccc1
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| InChI |
InChI=1S/C26H29F6NO3/c1-23(2,3)36-22(34)33-11-9-24(10-12-33,19-7-5-4-6-8-19)17-35-16-18-13-20(25(27,28)29)15-21(14-18)26(30,31)32/h4-8,13-15H,9-12,16-17H2,1-3H3
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| InChIKey |
ATXQWPMHZYZGBC-UHFFFAOYSA-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
Protein ID: PT00871, Sodium-dependent serotonin transporter
Protein ID: PT01410, Substance-P receptor