General Information of the Compound
| Compound ID |
CP0540437
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| Compound Name |
(4aS,5R,10bS)-9-(2-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 |
Clc1ccccc1Oc1ccc2N[C@H](C3CCCCC3)[C@@H]3CCCO[C@@H]3c2c1
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| InChI |
InChI=1S/C24H28ClNO2/c25-20-10-4-5-11-22(20)28-17-12-13-21-19(15-17)24-18(9-6-14-27-24)23(26-21)16-7-2-1-3-8-16/h4-5,10-13,15-16,18,23-24,26H,1-3,6-9,14H2/t18-,23+,24-/m0/s1
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| InChIKey |
WIUYYGQKVGTDQY-GLYQVZKVSA-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