General Information of the Compound
| Compound ID |
CP0150135
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| Compound Name |
(6S,11R)-3-Cyclopropylmethyl-6-ethyl-11-methyl-1-oxo-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocine-8-carboxylic acid amide
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| Structure |
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| Formula |
C20H26N2O2
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| Molecular Weight |
326.44
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| Canonical SMILES |
CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(cc21)C(N)=O
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| InChI |
InChI=1S/C20H26N2O2/c1-3-20-8-9-22(11-13-4-5-13)17(12(20)2)18(23)15-7-6-14(19(21)24)10-16(15)20/h6-7,10,12-13,17H,3-5,8-9,11H2,1-2H3,(H2,21,24)/t12-,17?,20-/m0/s1
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| InChIKey |
NBEPKKBOGWVFFT-HQWCKNPASA-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