General Information of the Compound
| Compound ID |
CP0547169
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| Compound Name |
(1R,8R)-9-benzyl-5-(3-methoxyphenyl)-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
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| Structure |
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| Formula |
C25H25NO
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| Molecular Weight |
355.481
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| Canonical SMILES |
COc1cccc(c1)-c1ccc2[C@H]3C[C@@H](N(Cc4ccccc4)CC3)c2c1
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| InChI |
InChI=1S/C25H25NO/c1-27-22-9-5-8-19(14-22)20-10-11-23-21-12-13-26(25(16-21)24(23)15-20)17-18-6-3-2-4-7-18/h2-11,14-15,21,25H,12-13,16-17H2,1H3/t21-,25-/m1/s1
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| InChIKey |
FWMXEMJWMMWNTC-PXDATVDWSA-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