General Information of the Compound
| Compound ID |
CP0886367
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| Compound Name |
3,8-dichloro-11-(4-methylpiperazin-1-yl)-dibenzo[b,f][1,4]oxazepine
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| Structure |
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| Formula |
C18H17Cl2N3O
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| Molecular Weight |
362.26
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| Canonical SMILES |
CN1CCN(C2=Nc3cc(Cl)ccc3Oc3cc(Cl)ccc32)CC1
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| InChI |
InChI=1S/C18H17Cl2N3O/c1-22-6-8-23(9-7-22)18-14-4-2-13(20)11-17(14)24-16-5-3-12(19)10-15(16)21-18/h2-5,10-11H,6-9H2,1H3
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| InChIKey |
GZJAOBFMCGWTIL-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