General Information of the Compound
| Compound ID |
CP0516315
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| Compound Name |
US9428456, 4.018
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| Structure |
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| Formula |
C26H33FN4O2
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| Molecular Weight |
452.574
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| Canonical SMILES |
Cc1cncc(c1)C(=O)Nc1ccc(F)c(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C26H33FN4O2/c1-18-13-20(16-28-15-18)26(33)30-23-7-8-24(27)21(14-23)17-31-11-9-19(10-12-31)25(32)29-22-5-3-2-4-6-22/h7-8,13-16,19,22H,2-6,9-12,17H2,1H3,(H,29,32)(H,30,33)
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| InChIKey |
UKORFJAVYCEFPV-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