General Information of the Compound
| Compound ID |
CP0561582
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| Compound Name |
CHEMBL4853036
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| Formula |
C24H21FN4O2
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| Molecular Weight |
416.456
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| Canonical SMILES |
CC(NC(=O)c1ccc(cc1)C#N)[C@@H]1[C@H]2C[C@@H](C[C@@H]12)Oc1ncnc2cc(F)ccc12
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| InChI |
InChI=1S/C24H21FN4O2/c1-13(29-23(30)15-4-2-14(11-26)3-5-15)22-19-9-17(10-20(19)22)31-24-18-7-6-16(25)8-21(18)27-12-28-24/h2-8,12-13,17,19-20,22H,9-10H2,1H3,(H,29,30)/t13?,17-,19-,20+,22+
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| InChIKey |
MZRNNRUIVXYBRQ-CZTHCNFISA-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