General Information of the Compound
| Compound ID |
CP0400778
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| Compound Name |
methyl (2R)-2-(4-azido-3-iodophenyl)-2-[(2R)-piperidin-2-yl]acetate
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| Structure |
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| Formula |
C14H17IN4O2
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| Molecular Weight |
400.22
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| Canonical SMILES |
COC(=O)[C@@H]([C@H]1CCCCN1)c1ccc(N=[N+]=[N-])c(I)c1
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| InChI |
InChI=1S/C14H17IN4O2/c1-21-14(20)13(12-4-2-3-7-17-12)9-5-6-11(18-19-16)10(15)8-9/h5-6,8,12-13,17H,2-4,7H2,1H3/t12-,13-/m1/s1
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| InChIKey |
TWLFJVAENFTGAE-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