General Information of the Compound
| Compound ID |
CP0376776
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| Compound Name |
1-hexyl-5-(7-methoxy-4-methyl-2-oxochromen-6-yl)pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C22H24N2O3
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| Molecular Weight |
364.445
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| Canonical SMILES |
CCCCCCn1c(ccc1-c1cc2c(C)cc(=O)oc2cc1OC)C#N
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| InChI |
InChI=1S/C22H24N2O3/c1-4-5-6-7-10-24-16(14-23)8-9-19(24)18-12-17-15(2)11-22(25)27-21(17)13-20(18)26-3/h8-9,11-13H,4-7,10H2,1-3H3
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| InChIKey |
RKFJABVANOKYKH-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