General Information of the Compound
| Compound ID |
CP0411994
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| Compound Name |
3-(2-ethoxy-5-methoxyphenyl)-2-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)-1-quinolin-8-ylsulfonylindole-5-carbonitrile
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| Structure |
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| Formula |
C36H32N6O5S
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| Molecular Weight |
660.756
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| Canonical SMILES |
CCOc1ccc(OC)cc1C1(N2CCN(CC2)c2ccncc2)C(=O)N(c2ccc(cc12)C#N)S(=O)(=O)c1cccc2cccnc12
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| InChI |
InChI=1S/C36H32N6O5S/c1-3-47-32-12-10-28(46-2)23-30(32)36(41-20-18-40(19-21-41)27-13-16-38-17-14-27)29-22-25(24-37)9-11-31(29)42(35(36)43)48(44,45)33-8-4-6-26-7-5-15-39-34(26)33/h4-17,22-23H,3,18-21H2,1-2H3
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| InChIKey |
KSMVBENPNMJAKN-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