General Information of the Compound
| Compound ID |
CP0572210
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| Compound Name |
4-[[(2S,3S)-3-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethoxy]-2-phenylpiperidin-1-yl]methyl]benzoic acid
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| Formula |
C27H27Cl2NO4
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| Molecular Weight |
500.422
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| Canonical SMILES |
OC[C@@H](O[C@H]1CCCN(Cc2ccc(cc2)C(O)=O)[C@H]1c1ccccc1)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C27H27Cl2NO4/c28-22-13-21(14-23(29)15-22)25(17-31)34-24-7-4-12-30(26(24)19-5-2-1-3-6-19)16-18-8-10-20(11-9-18)27(32)33/h1-3,5-6,8-11,13-15,24-26,31H,4,7,12,16-17H2,(H,32,33)/t24-,25+,26-/m0/s1
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| InChIKey |
IGWIUKYUKCCQNT-NXCFDTQHSA-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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