General Information of the Compound
| Compound ID |
CP0516323
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| Compound Name |
2-(5-chloro-1'-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-2,2',5'-trione)acetic acid
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| Structure |
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| Formula |
C23H15Cl2N3O5S
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| Molecular Weight |
516.362
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| Canonical SMILES |
OC(=O)CN1C(=O)C2(CC(=O)N(Cc3csc(n3)-c3ccc(Cl)cc3)C2=O)c2cc(Cl)ccc12
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| InChI |
InChI=1S/C23H15Cl2N3O5S/c24-13-3-1-12(2-4-13)20-26-15(11-34-20)9-28-18(29)8-23(22(28)33)16-7-14(25)5-6-17(16)27(21(23)32)10-19(30)31/h1-7,11H,8-10H2,(H,30,31)
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| InChIKey |
VJYXHXGNMCGAMT-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