General Information of the Compound
| Compound ID |
CP0574107
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| Compound Name |
US9428456, 3.003
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| Structure |
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| Formula |
C25H31FN4O2
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| Molecular Weight |
438.547
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)n1
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| InChI |
InChI=1S/C25H31FN4O2/c26-20-11-9-18(10-12-20)25(32)29-23-8-4-7-22(27-23)17-30-15-13-19(14-16-30)24(31)28-21-5-2-1-3-6-21/h4,7-12,19,21H,1-3,5-6,13-17H2,(H,28,31)(H,27,29,32)
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| InChIKey |
WZECPHPVRLRGHA-UHFFFAOYSA-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