General Information of the Compound
| Compound ID |
CP0149253
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| Compound Name |
(1R,2S)-N-[(3-nitrophenyl)methyl]-2-phenylcyclopropan-1-amine
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| Structure |
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| Formula |
C16H16N2O2
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| Molecular Weight |
268.316
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| Canonical SMILES |
[O-][N+](=O)c1cccc(CN[C@@H]2C[C@H]2c2ccccc2)c1
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| InChI |
InChI=1S/C16H16N2O2/c19-18(20)14-8-4-5-12(9-14)11-17-16-10-15(16)13-6-2-1-3-7-13/h1-9,15-17H,10-11H2/t15-,16+/m0/s1
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| InChIKey |
SASCNLRSTSEASB-JKSUJKDBSA-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