General Information of the Compound
| Compound ID |
CP0494026
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| Compound Name |
2-[(4S)-5'-chloro-1-[(5-chloro-2-fluorophenyl)methyl]-2,2',5-trioxospiro[imidazolidine-4,3'-indole]-1'-yl]acetic acid
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| Structure |
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| Formula |
C19H12Cl2FN3O5
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| Molecular Weight |
452.225
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| Canonical SMILES |
OC(=O)CN1C(=O)[C@@]2(NC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc12
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| InChI |
InChI=1S/C19H12Cl2FN3O5/c20-10-1-3-13(22)9(5-10)7-25-17(29)19(23-18(25)30)12-6-11(21)2-4-14(12)24(16(19)28)8-15(26)27/h1-6H,7-8H2,(H,23,30)(H,26,27)/t19-/m0/s1
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| InChIKey |
HORZMXGVSURXCK-IBGZPJMESA-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