General Information of the Compound
| Compound ID |
CP0575317
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| Compound Name |
5-[[(2S,3S)-3-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethoxy]-2-phenylpiperidin-1-yl]methyl]pyridine-3-carboxylic acid
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| Formula |
C26H26Cl2N2O4
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| Molecular Weight |
501.41
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| Canonical SMILES |
OC[C@@H](O[C@H]1CCCN(Cc2cncc(c2)C(O)=O)[C@H]1c1ccccc1)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C26H26Cl2N2O4/c27-21-10-19(11-22(28)12-21)24(16-31)34-23-7-4-8-30(25(23)18-5-2-1-3-6-18)15-17-9-20(26(32)33)14-29-13-17/h1-3,5-6,9-14,23-25,31H,4,7-8,15-16H2,(H,32,33)/t23-,24+,25-/m0/s1
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| InChIKey |
DHFCKKJFKXZMCC-GVAUOCQISA-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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