General Information of the Compound
| Compound ID |
CP0513854
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| Compound Name |
2-{5-chloro-1'-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-2,2'-dione}acetic acid
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| Structure |
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| Formula |
C24H20ClN3O5
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| Molecular Weight |
465.893
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| Canonical SMILES |
Cc1onc(c1CN1CCC2(C1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21)-c1ccccc1
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| InChI |
InChI=1S/C24H20ClN3O5/c1-14-17(21(26-33-14)15-5-3-2-4-6-15)12-27-10-9-24(22(27)31)18-11-16(25)7-8-19(18)28(23(24)32)13-20(29)30/h2-8,11H,9-10,12-13H2,1H3,(H,29,30)
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| InChIKey |
LRFQUBGMBUXPCJ-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