General Information of the Compound
| Compound ID |
CP0481324
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| Compound Name |
(+/-)-2-(5-(4-chlorophenylthio)-4-isopropyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid
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| Structure |
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| Formula |
C22H23ClN2O2S
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| Molecular Weight |
414.958
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| Canonical SMILES |
CC(C)c1ccnc2n3CCCC(CC(O)=O)c3c(Sc3ccc(Cl)cc3)c12
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| InChI |
InChI=1S/C22H23ClN2O2S/c1-13(2)17-9-10-24-22-19(17)21(28-16-7-5-15(23)6-8-16)20-14(12-18(26)27)4-3-11-25(20)22/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,26,27)
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| InChIKey |
RCUUGUXXIMFUAQ-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: PT01054, Prostaglandin D2 receptor
Protein ID: PT01819, Thromboxane A2 receptor