General Information of the Compound
| Compound ID |
CP0528670
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| Compound Name |
2-[(2R,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)-3-oxomorpholin-2-yl]acetic acid
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| Structure |
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| Formula |
C22H21Cl2NO4
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| Molecular Weight |
434.319
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| Canonical SMILES |
OC(=O)C[C@H]1O[C@@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C22H21Cl2NO4/c23-16-8-6-14(7-9-16)20-21(15-2-1-3-17(24)10-15)29-18(11-19(26)27)22(28)25(20)12-13-4-5-13/h1-3,6-10,13,18,20-21H,4-5,11-12H2,(H,26,27)/t18-,20-,21-/m1/s1
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| InChIKey |
PLSLYOZGYCPTIL-HMXCVIKNSA-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