General Information of the Compound
| Compound ID |
CP0270441
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| Compound Name |
(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-1-(1H-imidazol-2-ylmethyl)-2-phenyl-piperidine
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| Structure |
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| Formula |
C24H23F6N3O
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| Molecular Weight |
483.456
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| Canonical SMILES |
FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3ncc[nH]3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H23F6N3O/c25-23(26,27)18-11-16(12-19(13-18)24(28,29)30)15-34-20-7-4-10-33(14-21-31-8-9-32-21)22(20)17-5-2-1-3-6-17/h1-3,5-6,8-9,11-13,20,22H,4,7,10,14-15H2,(H,31,32)/t20-,22-/m0/s1
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| InChIKey |
HBAPMWYWEYPKLS-UNMCSNQZSA-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