General Information of the Compound
| Compound ID |
CP0471764
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| Compound Name |
4-[5-(benzenesulfonyl)-2-[[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]amino]pyrrolo[3,2-d]pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
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| Structure |
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| Formula |
C34H34N6O5S2
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| Molecular Weight |
670.817
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| Canonical SMILES |
Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)nc2ccn(c12)S(=O)(=O)c1ccccc1)C#N
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| InChI |
InChI=1S/C34H34N6O5S2/c1-23-19-26(21-35)20-24(2)32(23)45-33-31-30(15-18-40(31)47(43,44)29-7-5-4-6-8-29)37-34(38-33)36-27-13-16-39(17-14-27)22-25-9-11-28(12-10-25)46(3,41)42/h4-12,15,18-20,27H,13-14,16-17,22H2,1-3H3,(H,36,37,38)
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| InChIKey |
RBQPICKSZZSAJV-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