General Information of the Compound
| Compound ID |
CP0509219
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| Compound Name |
4-[5-(2-methoxyphenoxy)-6-[(5-propan-2-ylpyridin-2-yl)sulfonylamino]-2-pyridin-4-ylpyrimidin-4-yl]oxybut-2-ynyl N-phenylcarbamate
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| Structure |
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| Formula |
C35H32N6O7S
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| Molecular Weight |
680.743
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCOC(=O)Nc1ccccc1)-c1ccncc1
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| InChI |
InChI=1S/C35H32N6O7S/c1-24(2)26-15-16-30(37-23-26)49(43,44)41-33-31(48-29-14-8-7-13-28(29)45-3)34(40-32(39-33)25-17-19-36-20-18-25)46-21-9-10-22-47-35(42)38-27-11-5-4-6-12-27/h4-8,11-20,23-24H,21-22H2,1-3H3,(H,38,42)(H,39,40,41)
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| InChIKey |
DTDRDEIFMKNNTL-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