General Information of the Compound
| Compound ID |
CP0452498
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| Compound Name |
CHEMBL3763214
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| Formula |
C22H17Cl2N3O5
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| Molecular Weight |
474.3
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| Canonical SMILES |
COC(=O)c1c(Nc2ccc(Cl)c(Cl)c2)c(=O)c(O)c2oc3cc(ccc3nc12)N(C)C
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| InChI |
InChI=1S/C22H17Cl2N3O5/c1-27(2)11-5-7-14-15(9-11)32-21-18(26-14)16(22(30)31-3)17(19(28)20(21)29)25-10-4-6-12(23)13(24)8-10/h4-9,25,29H,1-3H3
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| InChIKey |
QEAMPRBYGQHTAE-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