General Information of the Compound
| Compound ID |
CP0485751
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| Compound Name |
2-{1'-benzyl-5-chloro-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-2,5'-dione}acetic acid
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| Structure |
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| Formula |
C20H17ClN2O4
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| Molecular Weight |
384.819
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| Canonical SMILES |
OC(=O)CN1C(=O)C2(CN(Cc3ccccc3)C(=O)C2)c2cc(Cl)ccc12
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| InChI |
InChI=1S/C20H17ClN2O4/c21-14-6-7-16-15(8-14)20(19(27)23(16)11-18(25)26)9-17(24)22(12-20)10-13-4-2-1-3-5-13/h1-8H,9-12H2,(H,25,26)
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| InChIKey |
BDWQUHFLKUXBHZ-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: PT04403, Prostaglandin D2 receptor 2
Protein ID: PT01171, Prostaglandin D2 receptor 2