General Information of the Compound
| Compound ID |
CP0572686
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| Compound Name |
3-(2-ethoxy-5-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-2-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)indole-5-carbonitrile
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| Structure |
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| Formula |
C34H33N5O6S
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| Molecular Weight |
639.734
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| Canonical SMILES |
CCOc1ccc(OC)cc1C1(N2CCN(CC2)c2ccncc2)C(=O)N(c2ccc(cc12)C#N)S(=O)(=O)c1ccc(OC)cc1
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| InChI |
InChI=1S/C34H33N5O6S/c1-4-45-32-12-8-27(44-3)22-30(32)34(38-19-17-37(18-20-38)25-13-15-36-16-14-25)29-21-24(23-35)5-11-31(29)39(33(34)40)46(41,42)28-9-6-26(43-2)7-10-28/h5-16,21-22H,4,17-20H2,1-3H3
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| InChIKey |
QUEWVHPSFLKKQU-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