General Information of the Compound
| Compound ID |
CP0926218
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| Compound Name |
(2R,6S)-1-allyl-4-hydroxy-2,6-bis(4-nitrophenyl)-1,2,3,6-tetrahydropyridine-3,5-dicarboxylate
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| Structure |
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| Formula |
C26H27N3O9
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| Molecular Weight |
525.514
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| Canonical SMILES |
C=CCN1[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OCC)=C(O)C(C(=O)OCC)[C@@H]1c1ccc([N+](=O)[O-])cc1
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| InChI |
InChI=1S/C26H27N3O9/c1-4-15-27-22(16-7-11-18(12-8-16)28(33)34)20(25(31)37-5-2)24(30)21(26(32)38-6-3)23(27)17-9-13-19(14-10-17)29(35)36/h4,7-14,20,22-23,30H,1,5-6,15H2,2-3H3/t20?,22-,23-/m0/s1
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| InChIKey |
AUPLBCVICPSTAQ-FALYVICWSA-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