General Information of the Compound
| Compound ID |
CP0115653
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| Compound Name |
N-[3-[(3-ethoxy-4-methoxyanilino)methyl]phenyl]-1,3-benzothiazol-2-amine
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| Structure |
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| Formula |
C23H23N3O2S
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| Molecular Weight |
405.523
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| Canonical SMILES |
CCOc1cc(NCc2cccc(Nc3nc4ccccc4s3)c2)ccc1OC
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| InChI |
InChI=1S/C23H23N3O2S/c1-3-28-21-14-17(11-12-20(21)27-2)24-15-16-7-6-8-18(13-16)25-23-26-19-9-4-5-10-22(19)29-23/h4-14,24H,3,15H2,1-2H3,(H,25,26)
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| InChIKey |
CUVVFQXOZYCYQL-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