General Information of the Compound
| Compound ID |
CP0920493
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| Compound Name |
1-Cyclopropyl-6-fluoro-4-oxo-7-(4-(4-(3-(piperidin-1-yl)propoxy)benzyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
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| Structure |
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| Formula |
C32H39FN4O4
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| Molecular Weight |
562.686
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| Canonical SMILES |
O=C(O)c1cn(C2CC2)c2cc(N3CCN(Cc4ccc(OCCCN5CCCCC5)cc4)CC3)c(F)cc2c1=O
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| InChI |
InChI=1S/C32H39FN4O4/c33-28-19-26-29(37(24-7-8-24)22-27(31(26)38)32(39)40)20-30(28)36-16-14-35(15-17-36)21-23-5-9-25(10-6-23)41-18-4-13-34-11-2-1-3-12-34/h5-6,9-10,19-20,22,24H,1-4,7-8,11-18,21H2,(H,39,40)
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| InChIKey |
ILCZCCKXAQMLEM-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