General Information of the Compound
| Compound ID |
CP0101869
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| Compound Name |
(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-1-(1H-tetrazol-5-ylmethyl)-piperidine
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| Structure |
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| Formula |
C22H21F6N5O
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| Molecular Weight |
485.432
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| Canonical SMILES |
FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3nnn[nH]3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H21F6N5O/c23-21(24,25)16-9-14(10-17(11-16)22(26,27)28)13-34-18-7-4-8-33(12-19-29-31-32-30-19)20(18)15-5-2-1-3-6-15/h1-3,5-6,9-11,18,20H,4,7-8,12-13H2,(H,29,30,31,32)/t18-,20-/m0/s1
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| InChIKey |
LFFPDSZQTVWQEP-ICSRJNTNSA-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