General Information of the Compound
| Compound ID |
CP0564213
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| Compound Name |
2-amino-4-(1-benzothiophen-2-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
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| Formula |
C21H12N2O3S
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| Molecular Weight |
372.405
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| Canonical SMILES |
NC1=C(C#N)C(c2cc3ccccc3s2)c2c(O1)c1ccccc1oc2=O
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| InChI |
InChI=1S/C21H12N2O3S/c22-10-13-17(16-9-11-5-1-4-8-15(11)27-16)18-19(26-20(13)23)12-6-2-3-7-14(12)25-21(18)24/h1-9,17H,23H2
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| InChIKey |
QWWVXOKHLRWCRN-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