General Information of the Compound
| Compound ID |
CP0538052
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| Compound Name |
N3-(3- Ethynyl- phenyl)-1- benzothio- phene-2,3- diamine
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| Structure |
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| Formula |
C16H12N2S
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| Molecular Weight |
264.353
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| Canonical SMILES |
Nc1sc2ccccc2c1Nc1cccc(c1)C#C
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| InChI |
InChI=1S/C16H12N2S/c1-2-11-6-5-7-12(10-11)18-15-13-8-3-4-9-14(13)19-16(15)17/h1,3-10,18H,17H2
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| InChIKey |
DOPUQCGCXVSPBM-UHFFFAOYSA-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