General Information of the Compound
| Compound ID |
CP0543630
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| Compound Name |
(4aS,5R,10bS)-5,9-dicyclohexyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
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| Structure |
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| Formula |
C24H35NO
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| Molecular Weight |
353.55
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| Canonical SMILES |
C1CCC(CC1)[C@H]1Nc2ccc(cc2[C@H]2OCCC[C@@H]12)C1CCCCC1
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| InChI |
InChI=1S/C24H35NO/c1-3-8-17(9-4-1)19-13-14-22-21(16-19)24-20(12-7-15-26-24)23(25-22)18-10-5-2-6-11-18/h13-14,16-18,20,23-25H,1-12,15H2/t20-,23+,24-/m0/s1
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| InChIKey |
KHJFMOARCPFDCQ-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