General Information of the Compound
| Compound ID |
CP0478164
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| Compound Name |
4-{5-chloro-1'-[(2-fluorophenyl)methyl]-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-2,2',5'-trione}butanoic acid
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| Structure |
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| Formula |
C22H18ClFN2O5
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| Molecular Weight |
444.846
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| Canonical SMILES |
OC(=O)CCCN1C(=O)C2(CC(=O)N(Cc3ccccc3F)C2=O)c2cc(Cl)ccc12
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| InChI |
InChI=1S/C22H18ClFN2O5/c23-14-7-8-17-15(10-14)22(20(30)25(17)9-3-6-19(28)29)11-18(27)26(21(22)31)12-13-4-1-2-5-16(13)24/h1-2,4-5,7-8,10H,3,6,9,11-12H2,(H,28,29)
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| InChIKey |
HIJZDZLPNFKWAV-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