General Information of the Compound
| Compound ID |
CP0272414
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| Compound Name |
US11149018, Example 34
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| Structure |
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| Formula |
C26H27BrClN3O3
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| Molecular Weight |
544.877
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| Canonical SMILES |
Cc1c(nc2ccc(Br)cc2c1C(=O)NC[C@H](CCC(O)=O)c1ccccc1Cl)N1CCCC1
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| InChI |
InChI=1S/C26H27BrClN3O3/c1-16-24(20-14-18(27)9-10-22(20)30-25(16)31-12-4-5-13-31)26(34)29-15-17(8-11-23(32)33)19-6-2-3-7-21(19)28/h2-3,6-7,9-10,14,17H,4-5,8,11-13,15H2,1H3,(H,29,34)(H,32,33)/t17-/m0/s1
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| InChIKey |
YQOLEILXOBUDMU-KRWDZBQOSA-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: PT02279, Prostacyclin receptor
Protein ID: PT01054, Prostaglandin D2 receptor
Protein ID: PT01171, Prostaglandin D2 receptor 2
Protein ID: PT01205, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01367, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype
Protein ID: PT07686, Prostaglandin F2-alpha receptor
Protein ID: PT01823, Prostaglandin F2-alpha receptor
Protein ID: PT04759, Prostaglandin F2-alpha receptor
Protein ID: PT01819, Thromboxane A2 receptor