General Information of the Compound
| Compound ID |
CP0328916
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| Compound Name |
Benzyl-(8-fluoro-10,11-dihydro-5-oxa-2,4,11-triaza-dibenzo[a,d]cyclohepten-1-yl)-amine
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| Structure |
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| Formula |
C18H15FN4O
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| Molecular Weight |
322.343
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| Canonical SMILES |
Fc1ccc2Oc3ncnc(NCc4ccccc4)c3NCc2c1
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| InChI |
InChI=1S/C18H15FN4O/c19-14-6-7-15-13(8-14)10-20-16-17(22-11-23-18(16)24-15)21-9-12-4-2-1-3-5-12/h1-8,11,20H,9-10H2,(H,21,22,23)
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| InChIKey |
PBYYAOQNRJEOJN-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