General Information of the Compound
| Compound ID |
CP0577282
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| Compound Name |
2-amino-4-(3,4-dimethoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
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| Structure |
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| Formula |
C22H18N2O3
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| Molecular Weight |
358.397
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| Canonical SMILES |
COc1ccc(cc1OC)C1C(C#N)=C(N)Oc2c1ccc1ccccc21
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| InChI |
InChI=1S/C22H18N2O3/c1-25-18-10-8-14(11-19(18)26-2)20-16-9-7-13-5-3-4-6-15(13)21(16)27-22(24)17(20)12-23/h3-11,20H,24H2,1-2H3
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| InChIKey |
LFWQQQGBNHKOSG-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