General Information of the Compound
| Compound ID |
CP0462755
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| Compound Name |
2-[5'-chloro-1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-3-methyl-2,2',5-trioxospiro[imidazolidine-4,3'-indole]-1'-yl]acetic acid
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| Structure |
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| Formula |
C22H21ClN4O6
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| Molecular Weight |
472.885
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| Canonical SMILES |
COc1c(C)cnc(CN2C(=O)N(C)C3(C2=O)C(=O)N(CC(O)=O)c2ccc(Cl)cc32)c1C
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| InChI |
InChI=1S/C22H21ClN4O6/c1-11-8-24-15(12(2)18(11)33-4)9-27-20(31)22(25(3)21(27)32)14-7-13(23)5-6-16(14)26(19(22)30)10-17(28)29/h5-8H,9-10H2,1-4H3,(H,28,29)
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| InChIKey |
QOFGCXLIEBUOCW-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