General Information of the Compound
| Compound ID |
CP0523560
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| Compound Name |
6-(4-amino-3-methylphenyl)-2,3,8,10-tetrahydro-[1,4]dioxino[2,3-h][2,3]benzodiazepin-9-one
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| Structure |
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| Formula |
C18H17N3O3
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| Molecular Weight |
323.352
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| Canonical SMILES |
Cc1cc(ccc1N)C1=NNC(=O)Cc2cc3OCCOc3cc12
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| InChI |
InChI=1S/C18H17N3O3/c1-10-6-11(2-3-14(10)19)18-13-9-16-15(23-4-5-24-16)7-12(13)8-17(22)20-21-18/h2-3,6-7,9H,4-5,8,19H2,1H3,(H,20,22)
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| InChIKey |
IHYCMGLIWJZXQG-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