General Information of the Compound
| Compound ID |
CP0504597
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| Compound Name |
N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-6-methoxy-1,3-benzothiazol-2-amine
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| Structure |
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| Formula |
C19H20N4OS2
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| Molecular Weight |
384.53
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| Canonical SMILES |
COc1ccc2nc(NCCc3ccc(cc3)N=C3NCCS3)sc2c1
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| InChI |
InChI=1S/C19H20N4OS2/c1-24-15-6-7-16-17(12-15)26-19(23-16)20-9-8-13-2-4-14(5-3-13)22-18-21-10-11-25-18/h2-7,12H,8-11H2,1H3,(H,20,23)(H,21,22)
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| InChIKey |
QRZODNJIPHRQEX-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