General Information of the Compound
| Compound ID |
CP0032416
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| Compound Name |
7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid
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| Structure |
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| Formula |
C20H24FN3O3
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| Molecular Weight |
373.428
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| Canonical SMILES |
C[C@H](N)[C@@H]1CCN(C1)c1c(F)cc2cc(C(O)=O)c(=O)n(C3CC3)c2c1C
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| InChI |
InChI=1S/C20H24FN3O3/c1-10-17-13(7-15(20(26)27)19(25)24(17)14-3-4-14)8-16(21)18(10)23-6-5-12(9-23)11(2)22/h7-8,11-12,14H,3-6,9,22H2,1-2H3,(H,26,27)/t11-,12+/m0/s1
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| InChIKey |
WDEFFRJHKJGSLD-NWDGAFQWSA-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