General Information of the Compound
| Compound ID |
CP0437128
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| Compound Name |
2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]oxyethyl N-pyridin-2-ylcarbamate
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| Structure |
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| Formula |
C33H33N7O7S
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| Molecular Weight |
671.736
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)-c1ncccn1
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| InChI |
InChI=1S/C33H33N7O7S/c1-33(2,3)22-13-15-23(16-14-22)48(42,43)40-28-27(47-25-11-6-5-10-24(25)44-4)31(39-30(38-28)29-35-18-9-19-36-29)45-20-21-46-32(41)37-26-12-7-8-17-34-26/h5-19H,20-21H2,1-4H3,(H,34,37,41)(H,38,39,40)
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| InChIKey |
RZTQQRCQEYQARM-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