General Information of the Compound
| Compound ID |
CP0567283
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| Compound Name |
N3-(2,3- Dimethyl- phenyl)-1- benzothio- phene-2,3- diamine
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| Structure |
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| Formula |
C16H16N2S
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| Molecular Weight |
268.385
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| Canonical SMILES |
Cc1cccc(Nc2c(N)sc3ccccc23)c1C
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| InChI |
InChI=1S/C16H16N2S/c1-10-6-5-8-13(11(10)2)18-15-12-7-3-4-9-14(12)19-16(15)17/h3-9,18H,17H2,1-2H3
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| InChIKey |
NAJYMRZVKNXWFN-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