General Information of the Compound
| Compound ID |
CP0387356
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| Compound Name |
7-(2- Methylpyridin- 4-yl)-N3- phenylbenzo[b] thiophene-2,3- diamine
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| Structure |
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| Formula |
C20H17N3S
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| Molecular Weight |
331.444
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| Canonical SMILES |
Cc1cc(ccn1)-c1cccc2c(Nc3ccccc3)c(N)sc12
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| InChI |
InChI=1S/C20H17N3S/c1-13-12-14(10-11-22-13)16-8-5-9-17-18(20(21)24-19(16)17)23-15-6-3-2-4-7-15/h2-12,23H,21H2,1H3
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| InChIKey |
JIKWEVVFEGVNRQ-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