General Information of the Compound
| Compound ID |
CP0466549
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| Compound Name |
N3-(3- Chlorophenyl)- 7-(2- methylpyridin- 4-yl)benzo[b] thiophene-2,3- diamine
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| Structure |
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| Formula |
C20H16ClN3S
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| Molecular Weight |
365.889
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| Canonical SMILES |
Cc1cc(ccn1)-c1cccc2c(Nc3cccc(Cl)c3)c(N)sc12
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| InChI |
InChI=1S/C20H16ClN3S/c1-12-10-13(8-9-23-12)16-6-3-7-17-18(20(22)25-19(16)17)24-15-5-2-4-14(21)11-15/h2-11,24H,22H2,1H3
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| InChIKey |
VIRMYZRDGLRJLT-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