General Information of the Compound
| Compound ID |
CP0529127
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| Compound Name |
(7,8-dimethoxy-10,11-dihydro-5H-2,4,5,11-tetraaza-dibenzo[a,d]cyclohepten-1-yl)-(3-methoxy-benzyl)-amine
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| Structure |
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| Formula |
C21H23N5O3
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| Molecular Weight |
393.447
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| Canonical SMILES |
COc1cccc(CNc2ncnc3Nc4cc(OC)c(OC)cc4CNc23)c1
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| InChI |
InChI=1S/C21H23N5O3/c1-27-15-6-4-5-13(7-15)10-23-20-19-21(25-12-24-20)26-16-9-18(29-3)17(28-2)8-14(16)11-22-19/h4-9,12,22H,10-11H2,1-3H3,(H2,23,24,25,26)
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| InChIKey |
RDWCIHJLPRFOAX-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