General Information of the Compound
| Compound ID |
CP0546800
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| Compound Name |
2-amino-4-(4-methylphenyl)-4H-benzo[h]chromene-3-carbonitrile
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| Structure |
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| Formula |
C21H16N2O
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| Molecular Weight |
312.372
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| Canonical SMILES |
Cc1ccc(cc1)C1C(C#N)=C(N)Oc2c1ccc1ccccc21
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| InChI |
InChI=1S/C21H16N2O/c1-13-6-8-15(9-7-13)19-17-11-10-14-4-2-3-5-16(14)20(17)24-21(23)18(19)12-22/h2-11,19H,23H2,1H3
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| InChIKey |
VOWWIDJXXXPMDR-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