General Information of the Compound
| Compound ID |
CP0931203
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| Compound Name |
8-chloro-11-(4-isopropylpiperazin-1-yl)-dibenzo[b,f][1,4]oxazepine
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| Structure |
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| Formula |
C20H22ClN3O
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| Molecular Weight |
355.869
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| Canonical SMILES |
CC(C)N1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1
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| InChI |
InChI=1S/C20H22ClN3O/c1-14(2)23-9-11-24(12-10-23)20-16-5-3-4-6-18(16)25-19-8-7-15(21)13-17(19)22-20/h3-8,13-14H,9-12H2,1-2H3
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| InChIKey |
HMRCFUPGLARKML-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