General Information of the Compound
| Compound ID |
CP0481330
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| Compound Name |
2-(1-(cyclopropylmethyl)-10-(3,4-dichlorophenylthio)-6,7,8,9-tetrahydropyrido[3,4-b]indolizin-9-yl)acetic acid
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| Structure |
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| Formula |
C23H22Cl2N2O2S
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| Molecular Weight |
461.414
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| Canonical SMILES |
OC(=O)CC1CCCn2c1c(Sc1ccc(Cl)c(Cl)c1)c1c(CC3CC3)nccc21
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| InChI |
InChI=1S/C23H22Cl2N2O2S/c24-16-6-5-15(12-17(16)25)30-23-21-18(10-13-3-4-13)26-8-7-19(21)27-9-1-2-14(22(23)27)11-20(28)29/h5-8,12-14H,1-4,9-11H2,(H,28,29)
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| InChIKey |
ITVGFKXNPHWUBR-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