General Information of the Compound
| Compound ID |
CP0498739
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| Compound Name |
N-[(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]butanamide
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| Structure |
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| Formula |
C23H28N2O
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| Molecular Weight |
348.49
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| Canonical SMILES |
CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(NC(=O)CCC)c-31
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| InChI |
InChI=1S/C23H28N2O/c1-3-7-21(26)24-19-11-6-9-17-15-20-23-16(12-14-25(20)13-4-2)8-5-10-18(23)22(17)19/h5-6,8-11,20H,3-4,7,12-15H2,1-2H3,(H,24,26)/t20-/m1/s1
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| InChIKey |
PYWGTMQDLFOTAB-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