General Information of the Compound
| Compound ID |
CP0567675
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| Compound Name |
2-amino-4-(4-cyanophenyl)-4H-benzo[h]chromene-3-carbonitrile
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| Structure |
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| Formula |
C21H13N3O
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| Molecular Weight |
323.355
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| Canonical SMILES |
NC1=C(C#N)C(c2ccc(cc2)C#N)c2ccc3ccccc3c2O1
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| InChI |
InChI=1S/C21H13N3O/c22-11-13-5-7-15(8-6-13)19-17-10-9-14-3-1-2-4-16(14)20(17)25-21(24)18(19)12-23/h1-10,19H,24H2
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| InChIKey |
XQUOMMBWBQNBPY-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