General Information of the Compound
| Compound ID |
CP0926806
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| Compound Name |
7-(4-fluorobenzyl)-9-hydroxy-5-methoxy-6-(3-oxo-3-(piperazin-1-yl)propylthio)-6,7-dihydropyrrolo[3,4-g]quinolin-8-one trifluoroacetic acid salt
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| Structure |
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| Formula |
C28H28F4N4O6S
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| Molecular Weight |
624.613
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| Canonical SMILES |
COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2SCCC(=O)N1CCNCC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C26H27FN4O4S.C2HF3O2/c1-35-24-18-3-2-9-29-22(18)23(33)20-21(24)26(36-14-8-19(32)30-12-10-28-11-13-30)31(25(20)34)15-16-4-6-17(27)7-5-16;3-2(4,5)1(6)7/h2-7,9,26,28,33H,8,10-15H2,1H3;(H,6,7)
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| InChIKey |
SIGMXOBELGLAFP-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