General Information of the Compound
| Compound ID |
CP0442867
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| Compound Name |
1-benzyl-5-[7-(diethylamino)-2-oxochromen-6-yl]pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C25H23N3O2
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| Molecular Weight |
397.478
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| Canonical SMILES |
CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(C#N)n1Cc1ccccc1
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| InChI |
InChI=1S/C25H23N3O2/c1-3-27(4-2)23-15-24-19(10-13-25(29)30-24)14-21(23)22-12-11-20(16-26)28(22)17-18-8-6-5-7-9-18/h5-15H,3-4,17H2,1-2H3
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| InChIKey |
BSKNFIKTIOWYFC-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