General Information of the Compound
| Compound ID |
CP0776397
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| Compound Name |
1,3,7-Triamino-9,9a-dihydro-4aH-xanthene-2-carbonitrile
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| Structure |
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| Formula |
C14H12N4O
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| Molecular Weight |
252.277
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| Canonical SMILES |
N#Cc1c(N)cc2c(c1N)Cc1cc(N)ccc1O2
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| InChI |
InChI=1S/C14H12N4O/c15-6-10-11(17)5-13-9(14(10)18)4-7-3-8(16)1-2-12(7)19-13/h1-3,5H,4,16-18H2
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| InChIKey |
JLFRFYRSPDXWMO-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