General Information of the Compound
| Compound ID |
CP0434594
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| Compound Name |
1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)indole-5-carbonitrile
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| Structure |
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| Formula |
C33H31N5O6S
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| Molecular Weight |
625.707
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| Canonical SMILES |
COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)C(N2CCN(CC2)c2ccncc2)(c2cc(ccc12)C#N)c1ccccc1OC
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| InChI |
InChI=1S/C33H31N5O6S/c1-42-25-9-11-31(30(21-25)44-3)45(40,41)38-28-10-8-23(22-34)20-27(28)33(32(38)39,26-6-4-5-7-29(26)43-2)37-18-16-36(17-19-37)24-12-14-35-15-13-24/h4-15,20-21H,16-19H2,1-3H3
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| InChIKey |
XXMNFEIOOOPXGX-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