General Information of the Compound
| Compound ID |
CP0806762
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| Compound Name |
1,3-Diamino-6-[1,4]dioxan-2-yl-7-hydroxy-9,9a-dihydro-4aH-xanthene-2-carbonitrile
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| Structure |
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| Formula |
C18H17N3O4
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| Molecular Weight |
339.351
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| Canonical SMILES |
N#Cc1c(N)cc2c(c1N)Cc1cc(O)c(C3COCCO3)cc1O2
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| InChI |
InChI=1S/C18H17N3O4/c19-7-12-13(20)6-16-11(18(12)21)3-9-4-14(22)10(5-15(9)25-16)17-8-23-1-2-24-17/h4-6,17,22H,1-3,8,20-21H2
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| InChIKey |
KJRGWHCEUMSERY-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