General Information of the Compound
| Compound ID |
CP0140521
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| Compound Name |
2-[(4S)-5'-chloro-1-[(5-chloro-2-fluorophenyl)methyl]-3-methyl-2,2',5-trioxospiro[imidazolidine-4,3'-indole]-1'-yl]acetic acid
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| Structure |
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| Formula |
C20H14Cl2FN3O5
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| Molecular Weight |
466.252
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| Canonical SMILES |
CN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]11C(=O)N(CC(O)=O)c2ccc(Cl)cc12
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| InChI |
InChI=1S/C20H14Cl2FN3O5/c1-24-19(31)26(8-10-6-11(21)2-4-14(10)23)18(30)20(24)13-7-12(22)3-5-15(13)25(17(20)29)9-16(27)28/h2-7H,8-9H2,1H3,(H,27,28)/t20-/m0/s1
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| InChIKey |
IDAMFVNNSWRUTJ-FQEVSTJZSA-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