General Information of the Compound
| Compound ID |
CP0422075
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| Compound Name |
2-{5-chloro-1'-[(1-methyl-1H-1,2,3-benzotriazol-5-yl)methyl]-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-2,2',5'-trione}acetic acid
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| Structure |
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| Formula |
C21H16ClN5O5
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| Molecular Weight |
453.842
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| Canonical SMILES |
Cn1nnc2cc(CN3C(=O)CC4(C3=O)C(=O)N(CC(O)=O)c3ccc(Cl)cc43)ccc12
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| InChI |
InChI=1S/C21H16ClN5O5/c1-25-16-4-2-11(6-14(16)23-24-25)9-27-17(28)8-21(20(27)32)13-7-12(22)3-5-15(13)26(19(21)31)10-18(29)30/h2-7H,8-10H2,1H3,(H,29,30)
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| InChIKey |
HUADETLFVZSYQX-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