General Information of the Compound
| Compound ID |
CP0405349
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| Compound Name |
1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxypyridin-3-yl)-2-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)indole-5-carbonitrile
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| Structure |
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| Formula |
C33H32N6O6S
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| Molecular Weight |
640.722
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| Canonical SMILES |
CCOc1ncccc1C1(N2CCN(CC2)c2ccncc2)C(=O)N(c2ccc(cc12)C#N)S(=O)(=O)c1ccc(OC)cc1OC
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| InChI |
InChI=1S/C33H32N6O6S/c1-4-45-31-26(6-5-13-36-31)33(38-18-16-37(17-19-38)24-11-14-35-15-12-24)27-20-23(22-34)7-9-28(27)39(32(33)40)46(41,42)30-10-8-25(43-2)21-29(30)44-3/h5-15,20-21H,4,16-19H2,1-3H3
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| InChIKey |
JBZOORZGPVOAMS-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