General Information of the Compound
| Compound ID |
CP0554409
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| Compound Name |
US9428456, 1.242
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| Structure |
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| Formula |
C24H29F3N4O2
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| Molecular Weight |
462.516
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| Canonical SMILES |
CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3cc(ccn3)C(F)(F)F)c2)CC1
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| InChI |
InChI=1S/C24H29F3N4O2/c1-23(2,3)30-21(32)17-8-11-31(12-9-17)15-16-5-4-6-19(13-16)29-22(33)20-14-18(7-10-28-20)24(25,26)27/h4-7,10,13-14,17H,8-9,11-12,15H2,1-3H3,(H,29,33)(H,30,32)
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| InChIKey |
UCEASSJHTJFPOO-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