General Information of the Compound
| Compound ID |
CP0954571
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| Compound Name |
2-(((2S,3S)-1-((1H-imidazol-2-yl)methyl)-2-phenylpiperidin-3-yl)oxy)-2-(3,5-dichlorophenyl)ethanol
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| Formula |
C23H25Cl2N3O2
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| Molecular Weight |
446.378
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| Canonical SMILES |
OC[C@@H](O[C@H]1CCCN(Cc2ncc[nH]2)[C@H]1c1ccccc1)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C23H25Cl2N3O2/c24-18-11-17(12-19(25)13-18)21(15-29)30-20-7-4-10-28(14-22-26-8-9-27-22)23(20)16-5-2-1-3-6-16/h1-3,5-6,8-9,11-13,20-21,23,29H,4,7,10,14-15H2,(H,26,27)/t20-,21+,23-/m0/s1
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| InChIKey |
BZXIDKITZBQUAW-XJUOHMSHSA-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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