General Information of the Compound
| Compound ID |
CP0439013
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| Compound Name |
2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-propan-2-ylpyrimidin-4-yl]oxyethyl N-pyridin-2-ylcarbamate
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| Structure |
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| Formula |
C32H37N5O7S
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| Molecular Weight |
635.743
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCOC(=O)Nc1ccccn1)C(C)C
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| InChI |
InChI=1S/C32H37N5O7S/c1-21(2)28-35-29(37-45(39,40)23-16-14-22(15-17-23)32(3,4)5)27(44-25-12-8-7-11-24(25)41-6)30(36-28)42-19-20-43-31(38)34-26-13-9-10-18-33-26/h7-18,21H,19-20H2,1-6H3,(H,33,34,38)(H,35,36,37)
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| InChIKey |
PWHUJWODHSRAIM-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