General Information of the Compound
| Compound ID |
CP0460020
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| Compound Name |
(3aS,4R,9bS)-8-(4-chlorophenoxy)-4-cyclohexyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
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| Structure |
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| Formula |
C23H26ClNO2
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| Molecular Weight |
383.919
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| Canonical SMILES |
Clc1ccc(Oc2ccc3N[C@@H]([C@@H]4CCO[C@@H]4c3c2)C2CCCCC2)cc1
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| InChI |
InChI=1S/C23H26ClNO2/c24-16-6-8-17(9-7-16)27-18-10-11-21-20(14-18)23-19(12-13-26-23)22(25-21)15-4-2-1-3-5-15/h6-11,14-15,19,22-23,25H,1-5,12-13H2/t19-,22+,23-/m0/s1
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| InChIKey |
IPXMQPOUKUOUBT-PMOQBDJRSA-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