General Information of the Compound
| Compound ID |
CP0964647
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| Compound Name |
2-amino-4-(1H-indol-2-yl)-5-oxo-4,5-dihydropyrano[3,2-c]chromene-3-carbonitrile
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| Structure |
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| Formula |
C21H13N3O3
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| Molecular Weight |
355.353
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| Canonical SMILES |
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C21H13N3O3/c22-9-13-17(14-10-24-15-7-3-1-5-11(14)15)18-19(27-20(13)23)12-6-2-4-8-16(12)26-21(18)25/h1-8,10,17,24H,23H2
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| InChIKey |
QXQIFLPSSMVVTR-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