General Information of the Compound
| Compound ID |
CP0434595
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| Compound Name |
1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-4-methoxyphenyl)-2-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)indole-5-carbonitrile
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| Structure |
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| Formula |
C35H35N5O7S
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| Molecular Weight |
669.76
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| Canonical SMILES |
CCOc1cc(OC)ccc1C1(N2CCN(CC2)c2ccncc2)C(=O)N(c2ccc(cc12)C#N)S(=O)(=O)c1ccc(OC)cc1OC
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| InChI |
InChI=1S/C35H35N5O7S/c1-5-47-31-21-26(44-2)7-9-28(31)35(39-18-16-38(17-19-39)25-12-14-37-15-13-25)29-20-24(23-36)6-10-30(29)40(34(35)41)48(42,43)33-11-8-27(45-3)22-32(33)46-4/h6-15,20-22H,5,16-19H2,1-4H3
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| InChIKey |
JSUNIKSWEDENRJ-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