General Information of the Compound
| Compound ID |
CP0434597
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| Compound Name |
3-(6-chloro-2-ethoxypyridin-3-yl)-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)indole-5-carbonitrile
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| Structure |
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| Formula |
C33H31ClN6O6S
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| Molecular Weight |
675.167
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| Canonical SMILES |
CCOc1nc(Cl)ccc1C1(N2CCN(CC2)c2ccncc2)C(=O)N(c2ccc(cc12)C#N)S(=O)(=O)c1ccc(OC)cc1OC
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| InChI |
InChI=1S/C33H31ClN6O6S/c1-4-46-31-25(7-10-30(34)37-31)33(39-17-15-38(16-18-39)23-11-13-36-14-12-23)26-19-22(21-35)5-8-27(26)40(32(33)41)47(42,43)29-9-6-24(44-2)20-28(29)45-3/h5-14,19-20H,4,15-18H2,1-3H3
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| InChIKey |
JIWYUYNPSNUPTP-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