General Information of the Compound
| Compound ID |
CP0455297
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| Compound Name |
CHEMBL584732
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| Formula |
C24H21FN4O3
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| Molecular Weight |
432.455
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| Canonical SMILES |
FCc1cccc(c1)-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2ncccc32)nc1
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| InChI |
InChI=1S/C24H21FN4O3/c25-12-15-3-1-4-17(11-15)18-13-27-23(28-14-18)29-21(30)16-6-8-24(9-7-16)19-5-2-10-26-20(19)22(31)32-24/h1-5,10-11,13-14,16H,6-9,12H2,(H,27,28,29,30)/t16-,24-
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| InChIKey |
PQJKFEKUVFVRBF-BCTVQRCUSA-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