General Information of the Compound
| Compound ID |
CP0411992
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| Compound Name |
3-(2,5-dimethoxyphenyl)-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 |
C34H33N5O7S
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| Molecular Weight |
655.733
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| Canonical SMILES |
COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)C(N2CCN(CC2)c2ccncc2)(c2cc(ccc12)C#N)c1cc(OC)ccc1OC
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| InChI |
InChI=1S/C34H33N5O7S/c1-43-25-6-9-30(45-3)28(20-25)34(38-17-15-37(16-18-38)24-11-13-36-14-12-24)27-19-23(22-35)5-8-29(27)39(33(34)40)47(41,42)32-10-7-26(44-2)21-31(32)46-4/h5-14,19-21H,15-18H2,1-4H3
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| InChIKey |
BFNNDTOVGKDOGJ-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