General Information of the Compound
| Compound ID |
CP0370689
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| Compound Name |
2-[(3R,5S,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1R)-2-methyl-1-propan-2-ylsulfonylpropyl]-2-oxopiperidin-3-yl]acetic acid
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| Structure |
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| Formula |
C26H31Cl2NO5S
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| Molecular Weight |
540.509
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| Canonical SMILES |
CC(C)[C@H](N1[C@@H]([C@@H](C[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)S(=O)(=O)C(C)C
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| InChI |
InChI=1S/C26H31Cl2NO5S/c1-15(2)26(35(33,34)16(3)4)29-24(17-8-10-20(27)11-9-17)22(18-6-5-7-21(28)12-18)13-19(25(29)32)14-23(30)31/h5-12,15-16,19,22,24,26H,13-14H2,1-4H3,(H,30,31)/t19-,22+,24-,26-/m1/s1
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| InChIKey |
GAFIQLCGUILWAZ-OLTCJGHMSA-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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