General Information of the Compound
| Compound ID |
CP0886053
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| Compound Name |
8-chloro-11-(4-ethylpiperazin-1-yl)-dibenzo[b,f][1,4]oxazepine fumaric acid
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| Structure |
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| Formula |
C23H24ClN3O5
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| Molecular Weight |
457.914
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| Canonical SMILES |
CCN1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1.O=C(O)/C=C/C(=O)O
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| InChI |
InChI=1S/C19H20ClN3O.C4H4O4/c1-2-22-9-11-23(12-10-22)19-15-5-3-4-6-17(15)24-18-8-7-14(20)13-16(18)21-19;5-3(6)1-2-4(7)8/h3-8,13H,2,9-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
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| InChIKey |
HPKGUIGAOILKTP-WLHGVMLRSA-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