General Information of the Compound
| Compound ID |
CP0449493
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| Compound Name |
(3aS,4R,9bS)-4-cyclohexyl-8-pentyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
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| Structure |
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| Formula |
C22H33NO
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| Molecular Weight |
327.512
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| Canonical SMILES |
CCCCCc1ccc2N[C@@H]([C@@H]3CCO[C@@H]3c2c1)C1CCCCC1
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| InChI |
InChI=1S/C22H33NO/c1-2-3-5-8-16-11-12-20-19(15-16)22-18(13-14-24-22)21(23-20)17-9-6-4-7-10-17/h11-12,15,17-18,21-23H,2-10,13-14H2,1H3/t18-,21+,22-/m0/s1
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| InChIKey |
PLOUXGVSNIUAMA-BWAGFHJFSA-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