General Information of the Compound
| Compound ID |
CP0536530
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| Compound Name |
4-[[4-[[5-(benzenesulfonyl)-4-(4-cyano-2,6-dimethylphenoxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C33H33N7O5S2
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| Molecular Weight |
671.805
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| Canonical SMILES |
Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc2ccn(c12)S(=O)(=O)c1ccccc1)C#N
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| InChI |
InChI=1S/C33H33N7O5S2/c1-22-18-25(20-34)19-23(2)31(22)45-32-30-29(14-17-40(30)47(43,44)28-6-4-3-5-7-28)37-33(38-32)36-26-12-15-39(16-13-26)21-24-8-10-27(11-9-24)46(35,41)42/h3-11,14,17-19,26H,12-13,15-16,21H2,1-2H3,(H2,35,41,42)(H,36,37,38)
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| InChIKey |
FWCAJLCSQYDZCX-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