General Information of the Compound
| Compound ID |
CP0436178
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| Compound Name |
4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]quinoline-8-carboxylic acid tert-butyl ester
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| Structure |
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| Formula |
C19H23NO3
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| Molecular Weight |
313.397
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| Canonical SMILES |
CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C19H23NO3/c1-12-15-7-5-13-11-14(18(22)23-19(2,3)4)6-8-16(13)20(15)10-9-17(12)21/h6,8,11H,5,7,9-10H2,1-4H3
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| InChIKey |
MBSVEGCTTZPXQP-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