General Information of the Compound
| Compound ID |
CP0045062
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| Compound Name |
8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-benzo[e]pyrrolo[1,2-a]azepine
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| Structure |
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| Formula |
C18H20ClN3
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| Molecular Weight |
313.832
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| Canonical SMILES |
CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Cn2cccc12
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| InChI |
InChI=1S/C18H20ClN3/c1-20-7-9-21(10-8-20)18-12-15-11-16(19)5-4-14(15)13-22-6-2-3-17(18)22/h2-6,11-12H,7-10,13H2,1H3
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| InChIKey |
DZDAGFDMUXEPPJ-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