General Information of the Compound
| Compound ID |
CP0511239
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| Compound Name |
(4aS,5R,10bS)-9-(4-chlorophenoxy)-5-cyclohexyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
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| Structure |
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| Formula |
C24H28ClNO2
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| Molecular Weight |
397.946
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| Canonical SMILES |
Clc1ccc(Oc2ccc3N[C@H](C4CCCCC4)[C@@H]4CCCO[C@@H]4c3c2)cc1
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| InChI |
InChI=1S/C24H28ClNO2/c25-17-8-10-18(11-9-17)28-19-12-13-22-21(15-19)24-20(7-4-14-27-24)23(26-22)16-5-2-1-3-6-16/h8-13,15-16,20,23-24,26H,1-7,14H2/t20-,23+,24-/m0/s1
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| InChIKey |
JMUKUGRFMFWFPR-ZTCOLXNVSA-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