General Information of the Compound
| Compound ID |
CP0411172
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| Compound Name |
N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-6-nitro-1,3-benzothiazol-2-amine
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| Structure |
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| Formula |
C18H17N5O2S2
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| Molecular Weight |
399.501
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| Canonical SMILES |
[O-][N+](=O)c1ccc2nc(NCCc3ccc(cc3)N=C3NCCS3)sc2c1
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| InChI |
InChI=1S/C18H17N5O2S2/c24-23(25)14-5-6-15-16(11-14)27-18(22-15)19-8-7-12-1-3-13(4-2-12)21-17-20-9-10-26-17/h1-6,11H,7-10H2,(H,19,22)(H,20,21)
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| InChIKey |
LGGZIHWFCWXOHL-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