General Information of the Compound
| Compound ID |
CP0675391
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| Compound Name |
4-(2-tert-Butoxycarbonylamino-ethylcarbamoyl)-benzenesulfonic acid 4-(2-nitro-vinyl)-phenyl ester
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| Structure |
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| Formula |
C22H25N3O8S
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| Molecular Weight |
491.522
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| Canonical SMILES |
CC(C)(C)OC(=O)NCCNC(=O)c1ccc(S(=O)(=O)Oc2ccc(/C=C/[N+](=O)[O-])cc2)cc1
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| InChI |
InChI=1S/C22H25N3O8S/c1-22(2,3)32-21(27)24-14-13-23-20(26)17-6-10-19(11-7-17)34(30,31)33-18-8-4-16(5-9-18)12-15-25(28)29/h4-12,15H,13-14H2,1-3H3,(H,23,26)(H,24,27)/b15-12+
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| InChIKey |
BHQGHWWROTWESK-NTCAYCPXSA-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