General Information of the Compound
| Compound ID |
CP0432341
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| Compound Name |
3-(2-ethoxy-5-methoxyphenyl)-1-(5-methoxyquinolin-8-yl)sulfonyl-2-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)indole-5-carbonitrile
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| Structure |
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| Formula |
C37H34N6O6S
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| Molecular Weight |
690.782
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| Canonical SMILES |
CCOc1ccc(OC)cc1C1(N2CCN(CC2)c2ccncc2)C(=O)N(c2ccc(cc12)C#N)S(=O)(=O)c1ccc(OC)c2cccnc12
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| InChI |
InChI=1S/C37H34N6O6S/c1-4-49-33-10-8-27(47-2)23-30(33)37(42-20-18-41(19-21-42)26-13-16-39-17-14-26)29-22-25(24-38)7-9-31(29)43(36(37)44)50(45,46)34-12-11-32(48-3)28-6-5-15-40-35(28)34/h5-17,22-23H,4,18-21H2,1-3H3
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| InChIKey |
FKCDNXBPCBYUIK-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