General Information of the Compound
| Compound ID |
CP0441179
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| Compound Name |
CHEMBL3935924
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| Formula |
C24H29NO5
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| Molecular Weight |
411.498
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| Canonical SMILES |
Cc1ccc(cc1)N(C(=O)OC[C@H]1CC[C@H](COCC(O)=O)CC1)c1ccccc1
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| InChI |
InChI=1S/C24H29NO5/c1-18-7-13-22(14-8-18)25(21-5-3-2-4-6-21)24(28)30-16-20-11-9-19(10-12-20)15-29-17-23(26)27/h2-8,13-14,19-20H,9-12,15-17H2,1H3,(H,26,27)/t19-,20-
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| InChIKey |
SULSUOLNIGMXAY-MXVIHJGJSA-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: PT05707, Prostacyclin receptor
Protein ID: PT01054, Prostaglandin D2 receptor