General Information of the Compound
| Compound ID |
CP0048557
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| Compound Name |
3-Methyl-11-(4-methyl-piperazin-1-yl)-5H-benzo[e]pyrrolo[1,2-a]azepine
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| Structure |
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| Formula |
C19H23N3
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| Molecular Weight |
293.414
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| Canonical SMILES |
CN1CCN(CC1)C1=Cc2ccccc2Cn2c(C)ccc12
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| InChI |
InChI=1S/C19H23N3/c1-15-7-8-18-19(21-11-9-20(2)10-12-21)13-16-5-3-4-6-17(16)14-22(15)18/h3-8,13H,9-12,14H2,1-2H3
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| InChIKey |
KCHOGJMXHYZZSG-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