General Information of the Compound
| Compound ID |
CP0103935
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| Compound Name |
5-nitro-N-[(1S,2R)-2-phenylcyclopropyl]thiophen-2-amine
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| Structure |
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| Formula |
C13H12N2O2S
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| Molecular Weight |
260.318
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| Canonical SMILES |
[O-][N+](=O)c1ccc(N[C@H]2C[C@@H]2c2ccccc2)s1
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| InChI |
InChI=1S/C13H12N2O2S/c16-15(17)13-7-6-12(18-13)14-11-8-10(11)9-4-2-1-3-5-9/h1-7,10-11,14H,8H2/t10-,11+/m1/s1
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| InChIKey |
PBQMAHAGYINQRT-MNOVXSKESA-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