General Information of the Compound
| Compound ID |
CP0553531
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| Compound Name |
ethyl (E)-3-[3-(3-chloroquinoxalin-2-yl)-5-methoxy-1-propan-2-ylindol-2-yl]prop-2-enoate
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| Structure |
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| Formula |
C25H24ClN3O3
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| Molecular Weight |
449.938
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| Canonical SMILES |
CCOC(=O)\C=C\c1c(-c2nc3ccccc3nc2Cl)c2cc(OC)ccc2n1C(C)C
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| InChI |
InChI=1S/C25H24ClN3O3/c1-5-32-22(30)13-12-21-23(24-25(26)28-19-9-7-6-8-18(19)27-24)17-14-16(31-4)10-11-20(17)29(21)15(2)3/h6-15H,5H2,1-4H3/b13-12+
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| InChIKey |
DGCXEBQJFQXWOX-OUKQBFOZSA-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