General Information of the Compound
| Compound ID |
CP0341216
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| Compound Name |
tert-butyl N-[3-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]phenyl]carbamate
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| Structure |
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| Formula |
C24H25N3O5S
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| Molecular Weight |
467.547
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| Canonical SMILES |
CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1cccc(NC(=O)OC(C)(C)C)c1
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| InChI |
InChI=1S/C24H25N3O5S/c1-5-27-19-12-13-20(17-10-7-11-18(21(17)19)22(27)28)33(30,31)26-16-9-6-8-15(14-16)25-23(29)32-24(2,3)4/h6-14,26H,5H2,1-4H3,(H,25,29)
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| InChIKey |
OSEKJLPRHACLQL-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