General Information of the Compound
| Compound ID |
CP0573565
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| Compound Name |
(4aS,5R,10bS)-5-cyclohexyl-9-phenoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
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| Structure |
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| Formula |
C24H29NO2
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| Molecular Weight |
363.501
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| Canonical SMILES |
C1CCC(CC1)[C@H]1Nc2ccc(Oc3ccccc3)cc2[C@H]2OCCC[C@@H]12
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| InChI |
InChI=1S/C24H29NO2/c1-3-8-17(9-4-1)23-20-12-7-15-26-24(20)21-16-19(13-14-22(21)25-23)27-18-10-5-2-6-11-18/h2,5-6,10-11,13-14,16-17,20,23-25H,1,3-4,7-9,12,15H2/t20-,23+,24-/m0/s1
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| InChIKey |
VCIAHHQMJRBLID-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