General Information of the Compound
| Compound ID |
CP0426682
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| Compound Name |
2-[(4S)-5'-chloro-1-[(5-chloro-2-fluorophenyl)methyl]-3-ethyl-2,2',5-trioxospiro[imidazolidine-4,3'-indole]-1'-yl]acetic acid
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| Structure |
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| Formula |
C21H16Cl2FN3O5
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| Molecular Weight |
480.279
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| Canonical SMILES |
CCN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]11C(=O)N(CC(O)=O)c2ccc(Cl)cc12
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| InChI |
InChI=1S/C21H16Cl2FN3O5/c1-2-27-20(32)26(9-11-7-12(22)3-5-15(11)24)19(31)21(27)14-8-13(23)4-6-16(14)25(18(21)30)10-17(28)29/h3-8H,2,9-10H2,1H3,(H,28,29)/t21-/m0/s1
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| InChIKey |
DAZYOSCHEYMKCE-NRFANRHFSA-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