General Information of the Compound
| Compound ID |
CP0423204
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| Compound Name |
4-tert-Butyl-N-[5-(2-methoxy-phenoxy)-6-pent-2-enyloxy-[2,2']bipyrimidinyl-4-yl]-benzenesulfonamide
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| Structure |
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| Formula |
C30H33N5O5S
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| Molecular Weight |
575.691
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| Canonical SMILES |
CC\C=C\COc1nc(nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c1Oc1ccccc1OC)-c1ncccn1
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| InChI |
InChI=1S/C30H33N5O5S/c1-6-7-10-20-39-29-25(40-24-13-9-8-12-23(24)38-5)26(33-28(34-29)27-31-18-11-19-32-27)35-41(36,37)22-16-14-21(15-17-22)30(2,3)4/h7-19H,6,20H2,1-5H3,(H,33,34,35)/b10-7+
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| InChIKey |
YHQPSGDHTOZVQM-JXMROGBWSA-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
Protein ID: PT01783, Endothelin receptor type B
Protein ID: PT01372, Endothelin-1 receptor