General Information of the Compound
| Compound ID |
CP0487888
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| Compound Name |
CHEMBL3765591
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| Formula |
C23H21N3O6
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| Molecular Weight |
435.436
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| Canonical SMILES |
COC(=O)c1c(Nc2ccc(OC)cc2)c(=O)c(O)c2oc3cc(ccc3nc12)N(C)C
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| InChI |
InChI=1S/C23H21N3O6/c1-26(2)13-7-10-15-16(11-13)32-22-19(25-15)17(23(29)31-4)18(20(27)21(22)28)24-12-5-8-14(30-3)9-6-12/h5-11,24,28H,1-4H3
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| InChIKey |
RUGGARPHMZQQEO-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