General Information of the Compound
| Compound ID |
CP0525160
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| Compound Name |
2'-[(4-fluorophenyl)methyl]-4'-hydroxy-3'-oxo-2',3'-dihydrospiro[cyclopropane-1,1'-pyrrolo[3,4-g]quinoline]-9'-yl N,N-dimethylsulfamate
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| Structure |
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| Formula |
C22H20FN3O5S
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| Molecular Weight |
457.483
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| Canonical SMILES |
CN(C)S(=O)(=O)Oc1c2c(C(=O)N(Cc3ccc(F)cc3)C22CC2)c(O)c2ncccc12
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| InChI |
InChI=1S/C22H20FN3O5S/c1-25(2)32(29,30)31-20-15-4-3-11-24-18(15)19(27)16-17(20)22(9-10-22)26(21(16)28)12-13-5-7-14(23)8-6-13/h3-8,11,27H,9-10,12H2,1-2H3
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| InChIKey |
UYXRWKBJDQYPRT-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