General Information of the Compound
| Compound ID |
CP0845460
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| Compound Name |
2-amino-7-benzyl-4-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
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| Structure |
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| Formula |
C24H22N2O3
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| Molecular Weight |
386.451
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| Canonical SMILES |
COc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CC(Cc2ccccc2)C3)cc1
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| InChI |
InChI=1S/C24H22N2O3/c1-28-18-9-7-17(8-10-18)22-19(14-25)24(26)29-21-13-16(12-20(27)23(21)22)11-15-5-3-2-4-6-15/h2-10,16,22H,11-13,26H2,1H3
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| InChIKey |
FWEKLAWMNUJWMB-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