General Information of the Compound
| Compound ID |
CP0428282
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| Compound Name |
6-(4-amino-phenyl)-2,3,8,10-tetrahydro-1,4-dioxa-7,8-diaza-cyclohepta[b]naphthalen-9-one
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| Structure |
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| Formula |
C17H15N3O3
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| Molecular Weight |
309.325
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| Canonical SMILES |
Nc1ccc(cc1)C1=NNC(=O)Cc2cc3OCCOc3cc12
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| InChI |
InChI=1S/C17H15N3O3/c18-12-3-1-10(2-4-12)17-13-9-15-14(22-5-6-23-15)7-11(13)8-16(21)19-20-17/h1-4,7,9H,5-6,8,18H2,(H,19,21)
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| InChIKey |
XNRKEFPYLYWMAX-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