General Information of the Compound
| Compound ID |
CP0530655
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| Compound Name |
US8653125, Ia-24
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| Formula |
C24H22FN5O2
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| Molecular Weight |
431.471
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| Canonical SMILES |
Fc1ccccc1-n1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)NC(=O)c2ccccc2C#N)n1
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| InChI |
InChI=1S/C24H22FN5O2/c25-20-7-3-4-8-21(20)30-14-13-22(29-30)28-23(31)16-9-11-18(12-10-16)27-24(32)19-6-2-1-5-17(19)15-26/h1-8,13-14,16,18H,9-12H2,(H,27,32)(H,28,29,31)/t16-,18+
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| InChIKey |
UVECXRMWVIOMGL-MAEOIBBWSA-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