General Information of the Compound
| Compound ID |
CP0391896
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| Compound Name |
4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]quinoline-8-carboxylic acid 3-hydroxy-propyl ester
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| Structure |
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| Formula |
C18H21NO4
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| Molecular Weight |
315.369
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| Canonical SMILES |
CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)OCCCO
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| InChI |
InChI=1S/C18H21NO4/c1-12-15-5-3-13-11-14(18(22)23-10-2-9-20)4-6-16(13)19(15)8-7-17(12)21/h4,6,11,20H,2-3,5,7-10H2,1H3
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| InChIKey |
YYOKKWAKDFFKLZ-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