General Information of the Compound
| Compound ID |
CP0435022
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| Compound Name |
2-[5-chloro-1'-(2-phenylethyl)-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-2,2',5'-trione]acetic acid
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| Structure |
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| Formula |
C21H17ClN2O5
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| Molecular Weight |
412.829
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| Canonical SMILES |
OC(=O)CN1C(=O)C2(CC(=O)N(CCc3ccccc3)C2=O)c2cc(Cl)ccc12
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| InChI |
InChI=1S/C21H17ClN2O5/c22-14-6-7-16-15(10-14)21(20(29)24(16)12-18(26)27)11-17(25)23(19(21)28)9-8-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,26,27)
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| InChIKey |
GCKMETBVGIPQGI-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