General Information of the Compound
| Compound ID |
CP0465477
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| Compound Name |
US8653125, Ia-28
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| Formula |
C23H22FN3O3
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| Molecular Weight |
407.445
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| Canonical SMILES |
Fc1ccccc1-c1cccc(NC(=O)[C@@H]2CC[C@@H](CC2)NC(=O)c2ccon2)c1
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| InChI |
InChI=1S/C23H22FN3O3/c24-20-7-2-1-6-19(20)16-4-3-5-18(14-16)26-22(28)15-8-10-17(11-9-15)25-23(29)21-12-13-30-27-21/h1-7,12-15,17H,8-11H2,(H,25,29)(H,26,28)/t15-,17+
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| InChIKey |
CORJZZNGLVYDPC-WOVMCDHWSA-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