General Information of the Compound
| Compound ID |
CP0461976
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| Compound Name |
6-benzyloxy-2,3,4,4a,9,9a-hexahydro-1H-beta-carboline
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| Structure |
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| Formula |
C18H20N2O
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| Molecular Weight |
280.371
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| Canonical SMILES |
C(Oc1ccc2NC3CNCCC3c2c1)c1ccccc1
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| InChI |
InChI=1S/C18H20N2O/c1-2-4-13(5-3-1)12-21-14-6-7-17-16(10-14)15-8-9-19-11-18(15)20-17/h1-7,10,15,18-20H,8-9,11-12H2
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| InChIKey |
ARNYMYNELRCYNP-UHFFFAOYSA-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