General Information of the Compound
| Compound ID |
CP0337225
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| Compound Name |
(3-Chloro-4-fluoro-phenyl)-(8-methoxy-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 |
C18H14ClFN4O2
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| Molecular Weight |
372.787
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| Canonical SMILES |
COc1ccc2Oc3ncnc(Nc4ccc(F)c(Cl)c4)c3NCc2c1
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| InChI |
InChI=1S/C18H14ClFN4O2/c1-25-12-3-5-15-10(6-12)8-21-16-17(22-9-23-18(16)26-15)24-11-2-4-14(20)13(19)7-11/h2-7,9,21H,8H2,1H3,(H,22,23,24)
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| InChIKey |
WFZQPBLGVOTMEJ-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