General Information of the Compound
| Compound ID |
CP0881834
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| Compound Name |
1-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
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| Structure |
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| Formula |
C15H18N2O
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| Molecular Weight |
242.322
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| Canonical SMILES |
COc1ccc(C2NCCCn3cccc32)cc1
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| InChI |
InChI=1S/C15H18N2O/c1-18-13-7-5-12(6-8-13)15-14-4-2-10-17(14)11-3-9-16-15/h2,4-8,10,15-16H,3,9,11H2,1H3
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| InChIKey |
UFSKZOWPLMDYJO-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