General Information of the Compound
| Compound ID |
CP0501387
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| Compound Name |
7-(4-Ethylcyclohexyloxy)-4-methyl-3-(4-methylpiperazin-1-yl)-2H-chromen-2-one
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| Structure |
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| Formula |
C23H32N2O3
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| Molecular Weight |
384.52
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| Canonical SMILES |
CCC1CCC(CC1)Oc1ccc2c(C)c(N3CCN(C)CC3)c(=O)oc2c1
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| InChI |
InChI=1S/C23H32N2O3/c1-4-17-5-7-18(8-6-17)27-19-9-10-20-16(2)22(23(26)28-21(20)15-19)25-13-11-24(3)12-14-25/h9-10,15,17-18H,4-8,11-14H2,1-3H3
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| InChIKey |
GCHCDLAJHUZBCL-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