General Information of the Compound
| Compound ID |
CP0539704
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| Compound Name |
2-(1,3-benzodioxol-5-yl)-N-ethyl-4-methoxy-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
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| Structure |
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| Formula |
C29H28N2O3
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| Molecular Weight |
452.554
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| Canonical SMILES |
CCN(C1CCCc2nc(cc(OC)c12)-c1ccc2OCOc2c1)c1cccc2ccccc12
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| InChI |
InChI=1S/C29H28N2O3/c1-3-31(24-12-6-9-19-8-4-5-10-21(19)24)25-13-7-11-22-29(25)28(32-2)17-23(30-22)20-14-15-26-27(16-20)34-18-33-26/h4-6,8-10,12,14-17,25H,3,7,11,13,18H2,1-2H3
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| InChIKey |
PDRSADQDRFEGBQ-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