General Information of the Compound
| Compound ID |
CP0504602
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| Compound Name |
N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-6-nitro-1,3-benzothiazol-2-amine
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| Structure |
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| Formula |
C19H19N5O2S2
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| Molecular Weight |
413.528
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| Canonical SMILES |
[O-][N+](=O)c1ccc2nc(NCCc3ccc(cc3)N=C3NCCCS3)sc2c1
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| InChI |
InChI=1S/C19H19N5O2S2/c25-24(26)15-6-7-16-17(12-15)28-19(23-16)21-10-8-13-2-4-14(5-3-13)22-18-20-9-1-11-27-18/h2-7,12H,1,8-11H2,(H,20,22)(H,21,23)
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| InChIKey |
ZISDKRJZQFWQCH-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