General Information of the Compound
| Compound ID |
CP0458923
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| Compound Name |
CHEMBL3764323
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| Formula |
C20H21N3O6
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| Molecular Weight |
399.403
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| Canonical SMILES |
COC(=O)c1c(N2CCOCC2)c(=O)c(O)c2oc3cc(ccc3nc12)N(C)C
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| InChI |
InChI=1S/C20H21N3O6/c1-22(2)11-4-5-12-13(10-11)29-19-15(21-12)14(20(26)27-3)16(17(24)18(19)25)23-6-8-28-9-7-23/h4-5,10,25H,6-9H2,1-3H3
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| InChIKey |
VKNRDBPKLZRTOR-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