General Information of the Compound
| Compound ID |
CP0458050
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| Compound Name |
3-(2-ethoxy-5-methoxyphenyl)-1-(5-fluoroquinolin-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 |
C36H31FN6O5S
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| Molecular Weight |
678.746
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| Canonical SMILES |
CCOc1ccc(OC)cc1C1(N2CCN(CC2)c2ccncc2)C(=O)N(c2ccc(cc12)C#N)S(=O)(=O)c1ccc(F)c2cccnc12
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| InChI |
InChI=1S/C36H31FN6O5S/c1-3-48-32-10-7-26(47-2)22-29(32)36(42-19-17-41(18-20-42)25-12-15-39-16-13-25)28-21-24(23-38)6-9-31(28)43(35(36)44)49(45,46)33-11-8-30(37)27-5-4-14-40-34(27)33/h4-16,21-22H,3,17-20H2,1-2H3
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| InChIKey |
STHFKBWMSGXLJU-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