General Information of the Compound
| Compound ID |
CP0561271
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| Compound Name |
US9428456, 2.066
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| Structure |
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| Formula |
C28H35F3N4O3
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| Molecular Weight |
532.607
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| Canonical SMILES |
OC[C@@H](NC(=O)C1CCN(Cc2cccc(NC(=O)c3cccc(n3)C(F)(F)F)c2)CC1)C1CCCCC1
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| InChI |
InChI=1S/C28H35F3N4O3/c29-28(30,31)25-11-5-10-23(33-25)27(38)32-22-9-4-6-19(16-22)17-35-14-12-21(13-15-35)26(37)34-24(18-36)20-7-2-1-3-8-20/h4-6,9-11,16,20-21,24,36H,1-3,7-8,12-15,17-18H2,(H,32,38)(H,34,37)/t24-/m1/s1
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| InChIKey |
VBZCHKZBOXFDAR-XMMPIXPASA-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