General Information of the Compound
| Compound ID |
CP0464725
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| Compound Name |
(7,8-dimethoxy-10,11-dihydro-5-oxa-2,4,11-triaza-dibenzo[a,d]cyclohepten-1-yl)-m-tolyl-amine
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| Structure |
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| Formula |
C20H20N4O3
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| Molecular Weight |
364.405
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| Canonical SMILES |
COc1cc2CNc3c(Nc4cccc(C)c4)ncnc3Oc2cc1OC
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| InChI |
InChI=1S/C20H20N4O3/c1-12-5-4-6-14(7-12)24-19-18-20(23-11-22-19)27-15-9-17(26-3)16(25-2)8-13(15)10-21-18/h4-9,11,21H,10H2,1-3H3,(H,22,23,24)
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| InChIKey |
KTEORODSZODNSV-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