General Information of the Compound
| Compound ID |
CP0402794
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| Compound Name |
4-[(1R,8R)-9-benzyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-yl]morpholine
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| Structure |
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| Formula |
C22H26N2O
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| Molecular Weight |
334.463
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| Canonical SMILES |
C(N1CC[C@@H]2C[C@@H]1c1ccc(cc21)N1CCOCC1)c1ccccc1
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| InChI |
InChI=1S/C22H26N2O/c1-2-4-17(5-3-1)16-24-9-8-18-14-22(24)20-7-6-19(15-21(18)20)23-10-12-25-13-11-23/h1-7,15,18,22H,8-14,16H2/t18-,22-/m1/s1
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| InChIKey |
OTAPEGBXOAAYTQ-XMSQKQJNSA-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