General Information of the Compound
| Compound ID |
CP0503033
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| Compound Name |
CHEMBL522768
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| Formula |
C22H20N2O4
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| Molecular Weight |
376.412
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| Canonical SMILES |
COC(=O)c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21
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| InChI |
InChI=1S/C22H20N2O4/c1-27-20(25)14-6-7-17-18(12-14)24-19(23-17)13-8-10-22(11-9-13)16-5-3-2-4-15(16)21(26)28-22/h2-7,12-13H,8-11H2,1H3,(H,23,24)/t13-,22-
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| InChIKey |
ADTCNFSULLSHQL-MRAWUWRDSA-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