General Information of the Compound
| Compound ID |
CP0543772
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| Compound Name |
(7,8-dimethoxy-10,11-dihydro-5-oxa-2,4,11-triaza-dibenzo[a,d]cyclohepten-1-yl)-(4-fluoro-phenyl)-amine
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| Structure |
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| Formula |
C19H17FN4O3
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| Molecular Weight |
368.368
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| Canonical SMILES |
COc1cc2CNc3c(Nc4ccc(F)cc4)ncnc3Oc2cc1OC
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| InChI |
InChI=1S/C19H17FN4O3/c1-25-15-7-11-9-21-17-18(24-13-5-3-12(20)4-6-13)22-10-23-19(17)27-14(11)8-16(15)26-2/h3-8,10,21H,9H2,1-2H3,(H,22,23,24)
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| InChIKey |
VXNUNRFSHHUSIE-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