General Information of the Compound
| Compound ID |
CP0434966
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| Compound Name |
(R)-methyl 2-(4-nitrophenyl)-2-((R)-piperidin-2-yl)acetate
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| Structure |
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| Formula |
C14H18N2O4
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| Molecular Weight |
278.308
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| Canonical SMILES |
COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C14H18N2O4/c1-20-14(17)13(12-4-2-3-9-15-12)10-5-7-11(8-6-10)16(18)19/h5-8,12-13,15H,2-4,9H2,1H3/t12-,13-/m1/s1
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| InChIKey |
BLBRFFAJTBEQKE-CHWSQXEVSA-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