General Information of the Compound
| Compound ID |
CP0504599
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| Compound Name |
N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-6-methoxy-1,3-benzothiazol-2-amine
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| Structure |
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| Formula |
C20H22N4OS2
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| Molecular Weight |
398.557
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| Canonical SMILES |
COc1ccc2nc(NCCc3ccc(cc3)N=C3NCCCS3)sc2c1
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| InChI |
InChI=1S/C20H22N4OS2/c1-25-16-7-8-17-18(13-16)27-20(24-17)22-11-9-14-3-5-15(6-4-14)23-19-21-10-2-12-26-19/h3-8,13H,2,9-12H2,1H3,(H,21,23)(H,22,24)
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| InChIKey |
IJHWPFODAYQALQ-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