General Information of the Compound
| Compound ID |
CP0489027
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| Compound Name |
ethyl 2-(3,6,8,9,13-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-11-yl)benzoate
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| Formula |
C17H13N5O2
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| Molecular Weight |
319.324
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| Canonical SMILES |
CCOC(=O)c1ccccc1-c1cnc2c3nccnc3nn2c1
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| InChI |
InChI=1S/C17H13N5O2/c1-2-24-17(23)13-6-4-3-5-12(13)11-9-20-16-14-15(19-8-7-18-14)21-22(16)10-11/h3-10H,2H2,1H3
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| InChIKey |
DJFMEHFZNRNRHU-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
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B