General Information of the Compound
| Compound ID |
CP0458808
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| Compound Name |
8-((3R)-(+)-3-dimethylamino-pyrrolidin-1-yl)-6-methoxy-4-oxo-1,4-dihydroquinoline-2-carboxylic acid(4-morpholin-4-yl-phenyl)amide
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| Structure |
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| Formula |
C27H33N5O4
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| Molecular Weight |
491.592
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| Canonical SMILES |
COc1cc(N2CC[C@H](C2)N(C)C)c2nc(cc(O)c2c1)C(=O)Nc1ccc(cc1)N1CCOCC1
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| InChI |
InChI=1S/C27H33N5O4/c1-30(2)20-8-9-32(17-20)24-15-21(35-3)14-22-25(33)16-23(29-26(22)24)27(34)28-18-4-6-19(7-5-18)31-10-12-36-13-11-31/h4-7,14-16,20H,8-13,17H2,1-3H3,(H,28,34)(H,29,33)/t20-/m1/s1
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| InChIKey |
CYIRKLFDCHLBJQ-HXUWFJFHSA-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