General Information of the Compound
| Compound ID |
CP0766369
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| Compound Name |
1,3-Diamino-6,7-dimethoxy-9,9a-dihydro-4aH-xanthene-2-carbonitrile
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| Structure |
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| Formula |
C16H15N3O3
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| Molecular Weight |
297.314
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| Canonical SMILES |
COc1cc2c(cc1OC)Oc1cc(N)c(C#N)c(N)c1C2
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| InChI |
InChI=1S/C16H15N3O3/c1-20-14-4-8-3-9-13(22-12(8)6-15(14)21-2)5-11(18)10(7-17)16(9)19/h4-6H,3,18-19H2,1-2H3
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| InChIKey |
RPZCXUMQKPFOIO-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