General Information of the Compound
| Compound ID |
CP0471765
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| Compound Name |
4-[[4-[[4-(4-cyano-2,6-dimethylphenoxy)-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C35H37N7O4S
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| Molecular Weight |
651.793
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| Canonical SMILES |
Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc2ccn(COCc3ccccc3)c12)C#N
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| InChI |
InChI=1S/C35H37N7O4S/c1-24-18-28(20-36)19-25(2)33(24)46-34-32-31(14-17-42(32)23-45-22-27-6-4-3-5-7-27)39-35(40-34)38-29-12-15-41(16-13-29)21-26-8-10-30(11-9-26)47(37,43)44/h3-11,14,17-19,29H,12-13,15-16,21-23H2,1-2H3,(H2,37,43,44)(H,38,39,40)
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| InChIKey |
WTPLVPRRVXHPML-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