General Information of the Compound
| Compound ID |
CP0829202
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| Compound Name |
3-(1-Cyano-1-methylethyl)-N-[3-({2-[(cyclopropylcarbonyl)-amino]-7-nitro-1,3-benzothiazol-6-yl}oxy)phenyl]benzamide
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| Structure |
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| Formula |
C28H23N5O5S
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| Molecular Weight |
541.589
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| Canonical SMILES |
CC(C)(C#N)c1cccc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)sc4c3[N+](=O)[O-])c2)c1
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| InChI |
InChI=1S/C28H23N5O5S/c1-28(2,15-29)18-6-3-5-17(13-18)26(35)30-19-7-4-8-20(14-19)38-22-12-11-21-24(23(22)33(36)37)39-27(31-21)32-25(34)16-9-10-16/h3-8,11-14,16H,9-10H2,1-2H3,(H,30,35)(H,31,32,34)
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| InChIKey |
BZNZGSHCDPQKRW-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