General Information of the Compound
| Compound ID |
CP0460798
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| Compound Name |
5-Isopropyl-pyridine-2-sulfonic acid {2-cyclopropyl-5-(2-methoxy-phenoxy)-6-[3-(propane-1-sulfonylamino)-propoxy]-pyrimidin-4-yl}-amide
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| Structure |
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| Formula |
C28H37N5O7S2
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| Molecular Weight |
619.766
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| Canonical SMILES |
CCCS(=O)(=O)NCCCOc1nc(nc(NS(=O)(=O)c2ccc(cn2)C(C)C)c1Oc1ccccc1OC)C1CC1
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| InChI |
InChI=1S/C28H37N5O7S2/c1-5-17-41(34,35)30-15-8-16-39-28-25(40-23-10-7-6-9-22(23)38-4)27(31-26(32-28)20-11-12-20)33-42(36,37)24-14-13-21(18-29-24)19(2)3/h6-7,9-10,13-14,18-20,30H,5,8,11-12,15-17H2,1-4H3,(H,31,32,33)
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| InChIKey |
HQIPFADRUMZDIT-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
Protein ID: PT01783, Endothelin receptor type B
Protein ID: PT01372, Endothelin-1 receptor